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COMPUTATIONAL BIOLOGY AND CHEMISTRY
Former title: Computers & Chemistry

Guide for Authors

1. General

Computational Biology and Chemistry (CBAC) publishes papers in English on pivotal aspects of computational life science. Submission of manuscripts reporting non-trivial research work in biomolecular sequence analysis, molecular evolution, molecular genetics (functional genomics and proteomics), theory and practice of either biology-specific or chemical-biology-specific modeling, and structural biology of nucleic acids and proteins (including computer-assisted predictions of folding) is particularly encouraged. Methodological papers and research reports that describe novel approaches to bioinformatics, systems biology, cybernetics, ecology, environmental sciences, computational pharmacology, metabolism, biomedical engineering, epidemiology, and statistical genetics are also welcomed.

The following main categories of articles will be considered for publication in the journal:
Research Papers are the most frequent form of publication, and may be of any length that is justified by their content. They are expected to be complete reports of original work.
Brief Communications are short reports describing particularly novel and significant findings or methods. Accepted communications, which normally should not exceed five journal pages in length, will be published as rapidly as possible.
Review Articles will usually be solicited by the Editors. However unsolicited reviews can also be considered for publication in CBAC. Prospective authors should indicate their intent to write a review by sending one to three pages synopsis via e-mail (or, in exceptional cases, fax) to the appropriate Editor at the address listed in section 2.1. entitled SUBMISSION ADDRESSES.
In addition to the foregoing major categories the Editors may decide to use more appropriate headings for some review articles. For example a given review paper may end up being published under the heading "Methodological Overview", "Opinion Paper" "Perspective", or "Commentary"

It is essential that the authors provide a fax number and e-mail address when submitting a manuscript. Articles must be written in good English.
Submission of an article implies that the work described has not been published previously (except in the form of an abstract or as part of a published lecture or academic thesis), that it is not under consideration for publication elsewhere, that its publication is approved by all authors and tacitly or explicitly by the responsible authorities where the work was carried out, and that, if accepted, it will not be published elsewhere in the same form, in English or in any other language, without the written consent of the Publisher.
Upon acceptance of an article, authors will be asked to sign a 'Journal Publishing Agreement' (for more information on this and copyright see External link http://www.elsevier.com/copyright). Acceptance of the agreement will ensure the widest possible dissemination of information. An e-mail (or letter) will be sent to the corresponding author confirming receipt of the manuscript together with a 'Journal Publishing Agreement' form or a link to the online version of this agreement.
Subscribers may reproduce tables of contents or prepare lists of articles including abstracts for internal circulation within their institutions. Permission of the Publisher is required for resale or distribution outside the institution and for all other derivative works, including compilations and translations (please consult External link http://www.elsevier.com/permissions).
If excerpts from other copyrighted works are included, the author(s) must obtain written permission from the copyright owners and credit the source(s) in the article. Elsevier has preprinted forms for use by authors in these cases: please consult External link http://www.elsevier.com/permissions.

2. Submission

2.1. Submission addresses
Before submitting their manuscript the authors will need to designate the editor to whom their work will be sent. The following table indicates to which editor manuscripts at a given general topic should be submitted. If general topic of interest to a prospective author is not listed below, he/she should inquire about the address of submission by sending an e-mail to either one of the Editors or to both of them. The e-mail should contain a brief description or an abstract of the manuscript intended for submission to CBAC and a brief explanation why the author(s) think the manuscript should be sent to this journal.

Manuscripts that pertain to general research areas listed below should be sent to the Editor
Prof. M. J. C. Crabbe;
e-mail: James.Crabbe@beds.ac.uk

Contact details:
Prof. M. James C. Crabbe
University of Luton,
Dean of Faculty of Creative Arts,
Technologies & Science,
Park Square,
Luton,
LU1 3JU, UK
Tel/Fax: +44 118 9318894

• Chemistry (including bio-organic, bioinorganic, and biophysical)
• Biochemistry
• Biochemical kinetics and thermodynamics
• Drug design
• Molecular modeling
• Molecular pharmacology
• Chromatography
• Electrophoresis
• Mass spectrometry
• Biological chemistry
• Molecular biology instrumentation & analysis (including microchips)
• Structural biology (including methods of structure determination)
• Crystallography
• Environmental science (including evolution of natural habitats

Manuscripts that pertain to general research areas listed below should be sent to the Editor
Dr. A. K. Konopka;
e-mail: akk@BLINGUA.org

Contact details:
Dr. Andrzej K. Konopka
BioLingua Research, Inc.
10331 Battleridge Place
Gaithersburg, MD 20886, USA
Tel/Fax: +1 301 527 1088

• Computational biology
• Computer-assisted sequence analysis
• Molecular biology software development
• Molecular evolution
• Bioinformatics, genomics and proteomics
• Theoretical and mathematical biology
• Systems biology, epigenetics, and integrative biology
• Cybernetics (general systems theory)
• General mathematical and methodological aspects of modelling
• Statistics, genetics and mathematical ecology
• Origins of life and "prebiotic" chemistry
• Chemical models and theories of life
• Programming, scripting and database tools (including database designs)
• Text analysis and computational linguistics

2.2. Online electronic submission to the journal prior to acceptance
Authors can upload their article as a LaTeX, Microsoft® (MS) Word®, WordPerfect®, PostScript or Adobe® Acrobat PDF® document via the "Author Gateway" page of this journal External link (http://authors.elsevier.com/journal/compbiolchem), where you will also find a detailed description on its use. The system generates an Adobe Acrobat PDF version of the article, which is used for the reviewing process. Apart from uploading separately, it is crucial that all graphical and tabular elements be also placed within the text, so that the file is suitable for reviewing. Authors, Reviewers and Editors send and receive all correspondence by e-mail and no paper correspondence is necessary.

Note: compuscripts submitted are converted into PDF for the review process but may need to be edited after acceptance to follow journal standards. For this an "editable" file format is necessary. See the section on "Electronic format requirements for accepted articles" and the further general instructions on how to prepare your article below.

2.3. Online electronic submission checklist
Ensure that the following items are present:
• One author designated as corresponding author
• E-mail address
• Full postal address
• Telephone and fax numbers
• All necessary files have been uploaded
• Keywords
• All figure captions
• All tables (including title, description, footnotes)

Further considerations:
• Manuscript has been "spell checked"
• References are in the correct format for this journal
• All references mentioned in the Reference list are cited in the text, and vice versa
• Permission has been obtained for use of copyrighted material from other sources (including the Web)

2.4. Submission to the journal, not online, prior to acceptance
Three copies of the manuscript, including one set of high-quality original illustrations, suitable for direct reproduction, should be submitted. (Copies of the illustrations are acceptable for the other sets of manuscripts, as long as the quality permits refereeing.) Send your manuscript to the appropriate Editor at the address listed in section 2.1. SUBMISSION ADDRESSES.

If at all possible authors should also send an electronic version of their article by e-mail to the appropriate address given in section 2.1. This electronic version will be used for the reviewing process. Authors, Reviewers and Editors send and receive all correspondence by e-mail and no paper correspondence is necessary.
Note: electronic articles submitted for the review process may need to be edited after acceptance to follow journal standards. For this an "editable" file format is necessary. See the section on "Electronic format requirements for accepted articles" and the further general instructions on how to prepare your article below.
Please submit, with the manuscript, the names and addresses of potential referees.
It is hoped that this list will be useful during the final checking of an article prior to sending it to the journal's editor for review.
Please consult this Guide for Authors for further details of any item.

2.5. Submission checklist, for non-online submission
Ensure that the following items are present:
• One author designated as corresponding author
• E-mail address
• Full postal address
• Telephone and fax numbers
• Disk is enclosed
• The electronic version and the hardcopy of the manuscript are identical
• Disk has been labelled with
• Article details (first author, first words of title)
• File name(s)
• Media format (e.g., PC, Mac)
• File format (e.g., Word, LaTeX)
• All text pages
• Keywords
• Original artwork (high-quality prints)
• All figure captions
• All tables (including title, description, footnotes)

Further considerations:
• Manuscript has been "spell checked"
• References are in the correct format for this journal
• All references mentioned in the Reference list are cited in the text, and vice versa
• Permission has been obtained for use of copyrighted material from other sources (including the Web)
• Colour figures are clearly marked as being intended for colour reproduction or to be reproduced in black-and-white

For any further information please contact the Author Support Department at authorsupport@elsevier.com

3. Electronic format requirements for accepted articles

3.1 General points
We accept most word-processing formats, but Word, WordPerfect or LaTeX is preferred. An electronic version of the text should be submitted together with the final hardcopy of the manuscript. The electronic version must match the hardcopy exactly. Always keep a backup copy of the electronic file for reference and safety. Label storage media with your name, journal title, and software used. Save your files using the default extension of the program used. No changes to the accepted version are permissible without the explicit approval of the Editor. Electronic files can be stored on 31/2 inch diskette, ZIP-disk or CD (either MS-DOS or Macintosh).

3.2 Word processor documents
It is important that the file be saved in the native format of the word processor used. The text should be in single-column format. Keep the layout of the text as simple as possible. Most formatting codes will be removed and replaced on processing the article. In particular, do not use the word processor's options to justify text or to hyphenate words. However, do use bold face, italics, subscripts, superscripts etc. Do not embed 'graphically designed' equations or tables, but prepare these using the word processor's facility. When preparing tables, if you are using a table grid, use only one grid for each individual table and not a grid for each row. If no grid is used, use tabs, not spaces, to align columns. The electronic text should be prepared in a way very similar to that of conventional manuscripts (see also the Author Gateway's Quick guide: External link http://authors.elsevier.com). Do not import the figures into the text file but, instead, indicate their approximate locations directly in the electronic text and on the manuscript. See also the section on Preparation of electronic illustrations.
To avoid unnecessary errors you are strongly advised to use the 'spell checker' function of your word processor.

3.3 LaTeX documents
If the LaTeX file is suitable, proofs will be produced without re-keying the text. The article should preferably be written using Elsevier document class 'elsart', or alternatively the standard document class 'article'.

The Elsevier LaTeX package (including detailed instructions for LaTeX preparation) can be obtained from the Author Gateway's Quick guide: External link http://authors.elsevier.com. It consists of the files: elsart.cls (use this file if you are using LaTeX2e, the current version of LaTeX), elsart.sty and elsart12.sty (use these two files if you are using LaTeX2.09, the previous version of LaTeX), guidelines for users of elsart, a template file for quick start, and the instruction booklet "Preparing articles with LaTeX".

Although Elsevier can process most word processor file formats, should your electronic file prove to be unusable, the article will be typeset from the hardcopy printout.

4. Presentation of manuscript

4.1 Presentation of text
Please write your text in good English (American or British usage is accepted, but not a mixture of these). Authors for whom English is a foreign language are strongly recommended to have the manuscript thoroughly checked and corrected before submission. English language help service: Upon request, Elsevier will direct authors to an agent who can check and improve the English of their paper (before submission). Please contact authorsupport@elsevier.com for further information.

Italics are not to be used for expressions of Latin origin, for example, in vivo, et al., per se. Use decimal points (not commas); use a space for thousands (10 000 and above).
Print the entire manuscript on one side of the paper only, using double spacing and wide (3 cm) margins. (Avoid full justification, i.e., do not use a constant right-hand margin.) Ensure that each new paragraph is clearly indicated. Present tables and figure legends on separate pages at the end of the manuscript. If possible, consult a recent issue of the journal to become familiar with layout and conventions. Number all pages consecutively.

Provide the following data on the title page (in the order given):
Title. Concise and informative. Titles are often used in information-retrieval systems. Avoid abbreviations and formulae where possible
Author names and affiliations. Where the family name may be ambiguous (e.g., a double name), please indicate this clearly. Present the authors' affiliation addresses (where the actual work was done) below the names. Indicate all affiliations with a lower-casesuperscript letter immediately after the author's name and in front of the appropriate address. Provide the full postal address of each affiliation, including the country name, and, if available, the e-mail address of each author.
Corresponding author. Clearly indicate who is willing to handle correspondence at all stages of refereeing and publication also post-publication. Ensure that telephone and fax numbers (with country and area code) are provided in addition to the e-mail address and the complete postal address.
Present/permanent address. If an author has moved since the work described in the article was done, or was visiting at the time, a 'Present address' (or 'Permanent address') may be indicated as a footnote to that author's name. The address at which the author actually did the work must be retained as the main, affiliation address. Superscript Arabic numerals are used for such footnotes.
Abstract. A concise and factual abstract is required (maximum length 300 words). The abstract should state briefly the purpose of the research, the principal results and major conclusions. An abstract is often presented separate from the article, so it must be able to stand-alone. References should therefore be avoided, but if essential, they must be cited in full, without reference to the reference list. Non-standard or uncommon abbreviations should be avoided, but if essential they must be defined at their first mention in the abstract itself. • Keywords. Immediately after the abstract, provide a maximum of 5 keywords, avoiding general and plural terms and multiple concepts (avoid, for example, 'and', 'of'). Be sparing with abbreviations: only abbreviations firmly established in the field may be eligible. These keywords will be used for indexing purposes
N.B. Acknowledgements. Collate acknowledgements in a separate section at the end of the article and do not, therefore, include them on the title page, as a footnote to the title or otherwise.

4.1.1 Arrangement of the article

Subdivision of the article
Divide your article into clearly defined and numbered sections. Subsections should be numbered 1.1 (then 1.1.1, 1.1.2, ), 1.2, etc. (the abstract is not included in section numbering). Use this numbering also for internal cross-referencing: do not just refer to 'the text'. Any subsection may be given a brief heading. Each heading should appear on its own separate line.
Introduction. State the objectives of the work and provide an adequate background, avoiding a detailed literature survey or a summary of the results.
Experimental/Materials and methods. Provide sufficient detail to allow the work to be reproduced. Methods already published should be indicated by a reference: only relevant modifications should be described.
Theory and/or calculation. A Theory section should extend, not repeat, the background to the article already dealt with in the Introduction and lay the foundation for further work. In contrast, a Calculation section represents a practical development from a theoretical basis. Include in figure legends and table texts technical details of methods used, while describing the methods themselves in the main text.
Appendices. If there is more than one appendix, they should be identified as A, B, etc. Formulae and equations in appendices should be given separate numbering: (Eq. A.1), (Eq. A.2), etc.; in a subsequent appendix, (Eq. B.1) and so forth.
Figure legends, tables, figures, schemes. Present these, in this order, at the end of the article. They are described in more detail below. If you are working with LaTeX and have such features embedded in the text, these can be left, but such embedding should not be done specifically for publishing purposes. Further, high-resolution graphics files must be provided separately (see Preparation of illustrations).

Further considerations:
Text graphics. Present incidental graphics not suitable for mention as figures, plates or schemes at the end of the article and number them 'Graphic 1', etc. Their precise position in the text can then be defined similarly (both on the manuscript and in the file). See further under the section, Preparation of illustrations. If you are working with LaTeX and have such features embedded in the text, these can be left, but such embedding should not be done specifically for publishing purposes. Further, high-resolution graphics files must be provided separately (see Preparation of illustrations).
Mathematical formulae. Present simple formulae in the line of normal text where possible. In principle, variables are to be presented in italics. Use the solidus (/) instead of a horizontal line, e.g., Xp/Ym. Powers of e are often more conveniently denoted by exp. Number consecutively any equations that have to be displayed separate from the text (if referred to explicitly in the text). • Footnotes. Footnotes should be used sparingly. Number them consecutively throughout the article, using superscript Arabic numbers. Many word processors build footnotes into the text, and this feature may be used. Should this not be the case, indicate the position of footnotes in the text and present the footnotes themselves on a separate sheet at the end of the article. Do not include footnotes in the Reference list. Table footnotes. Indicate each footnote in a table with a superscript lowercase letter.
Tables. Number tables consecutively in accordance with their appearance in the text. Place footnotes to tables below the table body and indicate them with superscript lowercase letters. Avoid vertical rules. Be sparing in the use of tables and ensure that the data presented in tables do not duplicate results described elsewhere in the article.
Nomenclature and units. Follow internationally accepted rules and conventions: use the international system of units (SI). If other quantities are mentioned, give their equivalent in SI.
Computer programs. Program descriptions, where necessary, should take the form of flowcharts, with short listings of pertinent sections of code. Program listings should be limited in length to that necessary to define the algorithm; since available space precludes the reproduction of lengthy program listings, code that can be reproduced by a skilled programmer should be omitted. See also under "Supplementary Data".
Supplementary data. Deposition of large quantities of data is inappropriate in the context of printed journal articles. Such data may be held and made available by (one of) the authors or can be submitted to a specific database. For details please contact the Editor. It should then be clearly stated in the article, at an appropriate point in the text or in a separate section before Acknowledgements, which data are available and exactly how they can be obtained. Although it is unnecessary to supply full sets of such data along with the manuscript for refereeing, you may wish to submit or mention any material considered to aid the refereeing process. Such material should be clearly marked as not for publication.

4.1.2 References

Responsibility for the accuracy of bibliographic citations lies entirely with the authors.

Citations in the text: Please ensure that every reference cited in the text is also present in the reference list (and vice versa). Any references cited in the abstract must be given in full. Unpublished results and personal communications should not be in the reference list, but may be mentioned in the text. Citation of a reference as "in press" implies that the item has been accepted for publication.

Citing and listing of web references. As a minimum, the full URL should be given. Any further information, if known (author names, dates, reference to a source publication, etc.), should also be given. Web references can be listed separately (e.g., after the reference list) under a different heading if desired, or can be included in the reference list.

Text: All citations in the text should refer to:
1. Single author: the authors name (without initials, unless there is ambiguity) and the year of publication;
2. Two authors: both authors names and the year of publication;
3. Three or more authors: first authors name followed by 'et al'. and the year of publication.
Citations may be made directly (or parenthetically). Groups of references should be listed first alphabetically, then chronologically.

Examples: "as demonstrated (Allan, 1996a, 1996b, 1999; Allan and Jones, 1995). Kramer et al. (2000) have recently shown ...." List: References should be arranged first alphabetically and then further sorted chronologically if necessary. More than one reference from the same author(s) in the same yearmust be identified by the letters "a", "b", "c"" etc., placed after the year of publication.
Examples:
Reference to a journal publication:
[1] J. van der Geer, J.A.J. Hanraads, R.A. Lupton, The art of writing a scientific article, J. Sci. Commun. 163 (2000) 51-59.
Reference to a book:
[2] W. Strunk Jr., E.B. White, The Elements of Style, third ed., Macmillan, New York, 1979.
Reference to a chapter in an edited book:
[3] G.R. Mettam, L.B. Adams, How to prepare an electronic version of your article, in: B.S. Jones, R.Z. Smith (Eds.), Introduction to the Electronic Age, E-Publishing Inc., New York, 1999, pp. 281-304.
Introduction to the Electronic Age, E-Publishing Inc., New York, pp. 281-304.

4.2 Preparation of illustrations
Illustrations can be prepared in black else it should be avoided. Colour artwork will be published without cost to the authors subject to the discretion of the Editor, and provided the artwork is of sufficient quality.

4.2.1 Preparation of electronic illustrations
Submitting your artwork in an electronic format helps us to produce your work to the best possible standards, ensuring accuracy, clarity and a high level of detail.

General points

• Always supply high-quality printouts of your artwork, in case conversion of the electronic artwork is problematic.
• Make sure you use uniform lettering and sizing of your original artwork.
• Save text in illustrations as "graphics" or enclose the font.
• Only use the following fonts in your illustrations: Arial, Courier, Helvetica, Times, Symbol.
• Number the illustrations according to their sequence in the text.
• Use a logical naming convention for your artwork files, and supply a separate listing of the files and the software used.
• Provide all illustrations as separate files and as hardcopy printouts on separate sheets.
• Provide captions to illustrations separately.
• Produce images near to the desired size of the printed version.
Files can be stored on 3 1/2 inch diskette, ZIP-disk or CD (either MS-DOS or Macintosh). This journal offers electronic submission services and graphic files can be uploaded via the Author Gateway page of this journal via External link http://authors.elsevier.com/journal/compbiolchem A detailed guide on electronic artwork is available on our website: External link http://authors.elsevier.com/artwork You are urged to visit this site; some excerpts from the detailed information are given here.

Formats
Regardless of the application used, when your electronic artwork is finalised, please "save as" or convert the images to one of the following formats (Note the resolution requirements for line drawings, halftones, and line/halftone combinations given below.):
EPS: Vector drawings. Embed the font or save the text as "graphics".
TIFF: Colour or greyscale photographs (halftones): always use a minimum of 300 dpi.
TIFF: Bitmapped line drawings: use a minimum of 1000 dpi.
TIFF: Combinations bitmapped line/half-tone (colour or greyscale): a minimum of 500 dpi is required.
DOC, XLS or PPT: If your electronic artwork is created in any of these Microsoft Office applications please supply "as is".

Please do not:
• Supply embedded graphics in your wordprocessor (spreadsheet, presentation) document;
• Supply files that are optimised for screen use (like GIF, BMP, PICT, WPG); the resolution is too low;
• Supply files that are too low in resolution;
• Submit graphics that are disproportionately large for the content.

4.2.2 Non-electronic illustrations
Provide all illustrations as high-quality printouts, suitable for reproduction (which may include reduction) without retouching. Number illustrations consecutively in the order in which they are referred to in the text. They should accompany the manuscript, but should not be included within the text. Clearly mark all illustrations on the back (or - in case of line drawings - on the lower front side) with the figure number and the author's name and, in cases of ambiguity, the correct orientation.
Mark the appropriate position of a figure in the article.
Captions
Ensure that each illustration has a caption. Supply captions separately, not attached to the figure. A caption should comprise a brief title (not on the figure itself) and a description of the illustration. Keep text in the illustrations themselves to a minimum but explain all symbols and abbreviations used.
Line drawings Supply high-quality printouts on white paper produced with black ink. The lettering and symbols, as well as other details, should have proportionate dimensions, so as not to become illegible or unclear after possible reduction; in general, the figures should be designed for a reduction factor of two to three. The degree of reduction will be determined by the Publisher. Illustrations will not be enlarged.
Consider the page format of the journal when designing the illustrations.
Photocopies are not suitable for reproduction. Do not use any type of shading on computer-generated illustrations.
Photographs (halftones) Please supply original photographs for reproduction, printed on glossy paper, very sharp and with good contrast. Remove nonessential areas of a photograph. Do not mount photographs unless they form part of a composite figure. Where necessary, insert a scale bar in the illustration (not below it), as opposed to giving a magnification factor in the legend.
Colour illustrations Submit colour illustrations as original photographs, high-quality computer prints or transparencies, close to the size expected in publication, or as 35 mm slides. Polaroid colour prints are not suitable. Further information concerning colour illustrations and costs is available from Author Support.

5. Proofs

When your manuscript is received by the Publisher it is considered to be in its final form. Proofs are not to be regarded as 'drafts'.
Proofs in PDF
One set of page proofs in PDF format will be sent by e-mail to the corresponding author, to be checked for typesetting/editing. No changes in, or additions to, the accepted (and subsequently edited) manuscript will be allowed at this stage. Proofreading is solely your responsibility.
Return deadline
The Publisher reserves the right to proceed with publication if corrections are not communicated within 2 days, 48 hours, of receipt of the proofs. Should there be no corrections, please confirm this.
One set requirement
Elsevier will do everything possible to get your article corrected and published as quickly and accurately as possible. In order to do this we need your help. When you receive the (PDF) proof of your article for correction, it is important to ensure that all of your corrections are sent back to us in one communication. Subsequent corrections will not be possible, so please ensure your first sending is complete.
Note that this does not mean you have any less time to make your corrections, just that only one set of corrections will be accepted.

6. Authors' rights

As an author you (or your employer or institution) retain certain rights; for details you are referred to: External link http://www.elsevier.com/authorsrights.

7. Funding body agreements and policies

Elsevier has established agreements and developed policies to allow authors who publish in Elsevier journals to comply with potential manuscript archiving requirements as specified as conditions of their grant awards. To learn more about existing agreements and policies please visit External link http://www.elsevier.com/fundingbodies

8. Offprints

Twenty-five offprints are provided free of charge to the corresponding author. Extra offprints can be ordered at prices shown on the offprint order form.

9. More information

Visit the Author Gateway from Elsevier Science (External link http://authors.elsevier.com) for the facility to track accepted articles and set up e-mail alerts to inform you of when an article's status has changed. The Author Gateway also provides detailed artwork guidelines, copyright information, frequently asked question and more.

Contact details for questions arising after acceptance of an article, especially those relating to proofs, are provided when an article is accepted for publication.

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