The association of tetrameric acetylcholinesterase with ColQ tail: a block normal mode analysis.

by Deqiang Zhang, J Andrew McCammon
Published 2005-11-01

AutoClickChem: click chemistry in silico.

by Jacob D Durrant, J Andrew McCammon
Published 2012-01-01

Dependency map of proteins in the small ribosomal subunit.

by Kay Hamacher, Joanna Trylska, J Andrew McCammon
Published 2006-02-01

Understanding the origins of bacterial resistance to aminoglycosides through molecular dynamics mutational study of the ribosomal A-site.

by Julia Romanowska, J Andrew McCammon, Joanna Trylska
Published 2011-07-01

Conformational Dynamics and Binding Free Energies of Inhibitors of BACE-1: From the Perspective of Protonation Equilibria.

by M Olivia Kim, Patrick G Blachly, J Andrew McCammon
Published 2015-10-01

Functional and structural insights revealed by molecular dynamics simulations of an essential RNA editing ligase in Trypanosoma brucei.

by Rommie E Amaro, Robert V Swift, J Andrew McCammon
Published 2007-11-01

Ras conformational switching: simulating nucleotide-dependent conformational transitions with accelerated molecular dynamics.

by Barry J Grant, Alemayehu A Gorfe, J Andrew McCammon
Published 2009-03-01

Computational identification of uncharacterized cruzain binding sites.

by Jacob D Durrant, Henrik Keränen, Benjamin A Wilson, J Andrew McCammon
Published 2010-05-01

Accessing a hidden conformation of the maltose binding protein using accelerated molecular dynamics.

by Denis Bucher, Barry J Grant, Phineus R Markwick, J Andrew McCammon
Published 2011-04-01

Striking Plasticity of CRISPR-Cas9 and Key Role of Non-target DNA, as Revealed by Molecular Simulations

by Giulia Palermo, Yinglong Miao, Ross C. Walker, Martin Jinek, J. Andrew McCammon
Published 2016-09-01

Targeted molecular dynamics study of C-loop closure and channel gating in nicotinic receptors.

by Xiaolin Cheng, Hailong Wang, Barry Grant, Steven M Sine, J Andrew McCammon
Published 2006-09-01

Molecular dynamics simulation study of conformational changes of transcription factor TFIIS during RNA polymerase II transcriptional arrest and reactivation.

by Changsun Eun, Juan Manuel Ortiz-Sánchez, Lintai Da, Dong Wang, J Andrew McCammon
Published 2014-01-01

Large-scale conformational changes of Trypanosoma cruzi proline racemase predicted by accelerated molecular dynamics simulation.

by César Augusto F de Oliveira, Barry J Grant, Michelle Zhou, J Andrew McCammon
Published 2011-10-01

Control of cation permeation through the nicotinic receptor channel.

by Hai-Long Wang, Xiaolin Cheng, Palmer Taylor, J Andrew McCammon, Steven M Sine
Published 2008-02-01

Insertion of the Ca²⁺-independent phospholipase A₂ into a phospholipid bilayer via coarse-grained and atomistic molecular dynamics simulations.

by Denis Bucher, Yuan-Hao Hsu, Varnavas D Mouchlis, Edward A Dennis, J Andrew McCammon
Published 2013-01-01

Utilizing a dynamical description of IspH to aid in the development of novel antimicrobial drugs.

by Patrick G Blachly, César A F de Oliveira, Sarah L Williams, J Andrew McCammon
Published 2013-01-01

The distinct conformational dynamics of K-Ras and H-Ras A59G.

by Suryani Lukman, Barry J Grant, Alemayehu A Gorfe, Guy H Grant, J Andrew McCammon
Published 2010-09-01

Conformational sampling and nucleotide-dependent transitions of the GroEL subunit probed by unbiased molecular dynamics simulations.

by Lars Skjaerven, Barry Grant, Arturo Muga, Knut Teigen, J Andrew McCammon, Nathalie Reuter, Aurora Martinez
Published 2011-03-01

Data for molecular dynamics simulations of Escherichia coli cytochrome bd oxidase with the Amber force field

by Surl-Hee Ahn, Christian Seitz, Vinícius Wilian D. Cruzeiro, J. Andrew McCammon, Andreas W. Götz
Published 2021-10-01

Tailoring the Variational Implicit Solvent Method for New Challenges: Biomolecular Recognition and Assembly

by Clarisse Gravina Ricci, Bo Li, Bo Li, Li-Tien Cheng, Joachim Dzubiella, Joachim Dzubiella, J. Andrew McCammon
Published 2018-02-01