This book is out now: Molecular Modeling of Proteins
# Hardcover: 396 pages # Publisher: Humana Press; 1 edition (February 19, 2008) # Language: English # ISBN-10: 1588298647 # ISBN-13: 978-1588298645 Here is a list of contents: Methodology 1 Molecular dynamics simulations Erik R. Lindahl 2 Monte Carlo simulations Michael W. Deem, David J. Earl 3 Hybrid quantum and classical methods for computing kinetic isotope effects of chemical reactions in solutions and in enzymes Jiali Gao, Dan. T. Major, Yao Fan, Yen-lin Lin, Shuhua Ma and Kin-Yiu Wong 4 Comparison of forcefields for molecular dynamics simulations Olgun Guvench and Alexander D. MacKerell, Jr. 5 Normal modes and essential dynamics Steven Hayward and Bert L. de Groot Free energy calculations 6 Calculation of absolute protein-ligand binding constants with the molelcular dynamics free energy perturbation method Hyung-June Woo 7 Free energy calculations applied to membrane proteins Christophe Chipot Molecular modeling of membrane proteins 8 Molecular dynamics simulations of membrane proteins Philip C. Biggin and Peter J. Bond 9 Membrane associated proteins and peptides Mark F. Lensink 10 Implicit membrane models for membrane protein simulation Michael Feig Protein structure determination 11 Comparative protein modeling Gerald H. Lushington 12 Transmembrane protein models based on high throughput MD simulations with experimental constraints Andrew J. Beevers, Andreas Kukol 13 NMR-based modelling and refinement of protein 3D structures and their complexes G Fuentes, A.D.J. van Dijk and Alexandre M.J.J. Bonvin Conformational change 14 Conformational changes in protein function Haiguang Liu, Shubhra Ghosh Dastidar, Hongxing Lei, Wei Zhang, Matthew C. Lee, and Yong Duan 15 Protein folding and unfolding by all-atom molecular dynamics simulations Hongxing Lei and Yong Duan 16 Modeling of protein misfolding in disease Edyta B. Malolepsza Applications to drug design 17 Identifying Putative Drug Targets and Potential Drug Leads: Starting Points for Virtual Screening and Docking David S. Wishart 18 Receptor flexibility for large scale in-silico ligand screens: chances and challenges B. Fisher, H. Merlitz and Wolfgang Wenzel 19 Molecular docking Garrett M. Morris and Marguerita Lim-Wilby Best wishes Andreas > -----Original Message----- > From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] > On Behalf Of [EMAIL PROTECTED] > Sent: 03 May 2008 15:58 > To: [email protected] > Subject: [gmx-users] Re: combining differently-generated force-fields > > Thanks Soo Mei, that might be interesting. I couldn't access it > either. I think it is a book (http://www.springer.com/series/7651) > > MacKerell's website indicates that it is not yet in press, although I > am not sure how recently that was updated: > > Guvench, O. and MacKerell, A.D., Jr., ?Comparison of protein force > fields for molecular dynamics simulations,? In Molecular Modeling of > Proteins, A. Kukol, > Editor, Humana Press, Submitted. > > --original message -- > > A related reference might be this? > > Comparison of protein force fields for molecular dynamics simulations. > Methods Mol Biol. 2008;443:63-88. > Guvench O, Mackerell AD Jr. > > Not that I've read it yet, because my institute doesn't have access to > that journal. > > Cheers, > Soo Mei > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
