Annual Reports in Computational Chemistry, Volume 4
1st Edition
Table of Contents
Section 1: Bioinformatics (Section Editor: Wei Wang)
Structural Perspectives on Protein Evolution Eric Franzosa and Yu Xia
Introduction
- Determinants of Evolutionary Rate
- Theoretical Advances
- Empirical Results: Single Proteins
- Empirical Results: Higher Order Properties
Summation Acknowledgements References
Predicting Selectivity and Druggability in Drug Discovery Alan C. Cheng
Introduction
- Selectivity
- Druggability
- Conclusion References
Section 2: Biological Modeling (Section Editor: Nathan Barker)
Machine Learning for Protein Structure and Function Prediction Robert Ezra Langlois and Hui Lu
Introduction
- Machine Learning Problem Formulations
- Applications in Protein Structure and Function Modeling
Discussion and Future Outlook Acknowledgements References
Modeling Protein-Protein and Protein-Nucleic Acid Interactions: Structure, Thermodynamics, and Kinetics Huan-Xiang Zhou, Sanbo Qin and Harianto Tjong
Introduction
- Building Structural Models
- Prediction of Binding Affinities
- Prediction of Binding Rates
- Dynamics within Native Complexes and During Complex Formation
- Summary Points References
Analysing Protein NMR pH-titration Curves Jens Erik Nielsen
Introduction
- Fitting Protein Titration Curves
- Conc
Description
Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a "must" for researchers and students wishing to stay up-to-date on current developments in computational chemistry.
Key Features
- Broad coverage of computational chemistry and up-to-date information
- Topics covered include bioinformatics, drug discovery, protein NMR, simulation methodologies, and applications in academic and industrial settings
- Each chapter reviews the most recent literature on a specific topic of interest to computational chemists
Readership
Researchers and students interested in computational chemistry
Details
- No. of pages:
- 272
- Language:
- English
- Copyright:
- © Elsevier Science 2008
- Published:
- 20th November 2008
- Imprint:
- Elsevier Science
- eBook ISBN:
- 9780080932781
- Hardcover ISBN:
- 9780444532503
Ratings and Reviews
About the Editors
Ralph Wheeler Editor
Affiliations and Expertise
Department of Chemistry & Biochemistry, Duquesne University, Pittsburgh, PA, USA
David Spellmeyer Editor
Affiliations and Expertise
Nodality, Inc., CA, USA