Mapping the structural and dynamical features of kinesin motor domains.

by Guido Scarabelli, Barry J Grant
Published 2013-01-01

Comparative structural dynamic analysis of GTPases.

by Hongyang Li, Xin-Qiu Yao, Barry J Grant
Published 2018-11-01

Enrichment of Druggable Conformations from Apo Protein Structures Using Cosolvent-Accelerated Molecular Dynamics

by Andrew Kalenkiewicz, Barry J. Grant, Chao-Yie Yang
Published 2015-04-01

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

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

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

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

Identification of potential small molecule binding pockets on Rho family GTPases.

by Juan Manuel Ortiz-Sanchez, Sara E Nichols, Jacqueline Sayyah, Joan Heller Brown, J Andrew McCammon, Barry J Grant
Published 2012-01-01

Novel allosteric sites on Ras for lead generation.

by Barry J Grant, Suryani Lukman, Harrison J Hocker, Jaqueline Sayyah, Joan Heller Brown, J Andrew McCammon, Alemayehu A Gorfe
Published 2011-01-01

Electrostatically biased binding of kinesin to microtubules.

by Barry J Grant, Dana M Gheorghe, Wenjun Zheng, Maria Alonso, Gary Huber, Maciej Dlugosz, J Andrew McCammon, Robert A Cross
Published 2011-11-01

Neck linker docking is critical for Kinesin-1 force generation in cells but at a cost to motor speed and processivity

by Breane G Budaitis, Shashank Jariwala, Dana N Reinemann, Kristin I Schimert, Guido Scarabelli, Barry J Grant, David Sept, Matthew J Lang, Kristen J Verhey
Published 2019-05-01