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ANNUAL REPORTS IN COMPUTATIONAL CHEMISTRY, 5
Annual Reports in Computational Chemistry, 5
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Edited By
Ralph Wheeler, Department of Chemistry & Biochemistry, University of Oklahoma, Norman, USA
David Spellmeyer, Nodality, Inc., CA, USA

Contents


1. Free energies of lipid – lipid interactions in membranes

- W.F. Drew Bennett* and D. Peter Tieleman





2.
Quantifying uncertainty and sampling quality in biomolecular simulations

- Alan Grossfield and Daniel M. Zuckerman

 3. Methods for Monte Carlo simulations of biomacromolecules

- Andreas Vitalis*, and Rohit V. Pappu



4. Accelerated Molecular Dynamics Methods: Introduction and Recent Developments



-D. Perez, B. P. Uberuaga, Y. Shim, J. G. Amar and A. F. Voter





5. Recent Advances on in silico ADME Modeling

-Junmei Wang and Tingjun Hou

6. Explicitly correlated coupled-cluster methods

- Toru Shiozaki* Edward F. Valeev* and So Hirata



7. The Density Matrix Renormalization Group in Quantum Chemistry



Garnet Kin-Lic Chan and Dominika Zgid





8. Electron Transfer in Gaseous Positively Charged Peptides - Relation to Mass Spectrometry

- Jack Simons



Bibliographic details
Paperback, 216 pages, publication date: OCT-2009
ISBN-13: 978-0-444-53359-3
Imprint: ELSEVIER

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Last update: 3 Oct 2009
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