Recent developments and applications of the CHARMM force fields
Advanced Review
Xiao Zhu, Pedro E. M. Lopes, Alexander D. MacKerell
Published Online: Jun 28 2011
DOI:10.1002/wcms.74
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Molecular Mechanics
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Molecular Mechanics
The role of metal ions in G protein‐coupled receptor signalling and drug discovery
Focus Article
Shuguang Yuan, Horst Vogel, H. C. Stephen Chan, Shu Li, Xueying Wang, Rongfeng Zou
Published Online: Jul 26 2021
DOI:10.1002/wcms.1565
Structure based virtual screening: Fast and slow
Advanced Review
Alejandro Varela‐Rial, Maciej Majewski, Gianni De Fabritiis
Published Online: May 16 2021
DOI:10.1002/wcms.1544
Glutamine synthetase structure‐catalysis relationship—Recent advances and applications
Overview
Cátia Daniela dos Santos Moreira, Maria João Ribeiro Nunes Ramos, Pedro Manuel Azevedo Alexandrino Fernandes
Published Online: Nov 22 2018
DOI:10.1002/wcms.1399
On flexible force fields for metal–organic frameworks: Recent developments and future prospects
Advanced Review
Jurn Heinen, David Dubbeldam
Published Online: Mar 25 2018
DOI:10.1002/wcms.1363
Revisiting the earliest signatures of amyloidogenesis: Roadmaps emerging from computational modeling and experiment
Advanced Review
Shayon Bhattacharya, Liang Xu, Damien Thompson
Published Online: Feb 13 2018
DOI:10.1002/wcms.1359
Atomistic modeling of graphene/hexagonal boron nitride polymer nanocomposites: a review
Advanced Review
M. Packirisamy, Avinash Parashar, Akarsh Verma
Published Online: Nov 13 2017
DOI:10.1002/wcms.1346
Recent advances in dynamic docking for drug discovery
Perspective
Marco De Vivo, Andrea Cavalli
Published Online: Jun 13 2017
DOI:10.1002/wcms.1320
Accelerating physical simulations of proteins by leveraging external knowledge
Advanced Review
Ken A. Dill, Joseph A. Morrone, Alberto Perez
Published Online: Apr 19 2017
DOI:10.1002/wcms.1309
Using PyMOL as a platform for computational drug design
Software Focus
Zhenquan Hu, H.C. Stephen Chan, Shuguang Yuan
Published Online: Jan 05 2017
DOI:10.1002/wcms.1298
Polarizable force fields for molecular dynamics simulations of biomolecules
Overview
Christopher M. Baker
Published Online: Jan 26 2015
DOI:10.1002/wcms.1215
Recent successes in coarse‐grained modeling of DNA
Advanced Review
Davit A. Potoyan, Alexey Savelyev, Garegin A. Papoian
Published Online: Aug 08 2012
DOI:10.1002/wcms.1114
Carbohydrate force fields
Advanced Review
B. Lachele Foley, Matthew B. Tessier, Robert J. Woods
Published Online: Oct 31 2011
DOI:10.1002/wcms.89