James C. Gumbart

Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text

Natural Sciences, Chemistry, High-performance Computing +17

Rapid parameterization of small molecules using the force field toolkit

Christopher G. Mayne, Jan Saam, Klaus Schulten et al. · Journal of Computational Chemistry · 2013 · 537 citations

Natural Sciences, Biophysics, Chemistry +17

The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask

Jeffrey Comer, James C. Gumbart, Jérôme Hénin et al. · The Journal of Physical Chemistry B · 2014 · 483 citations · Full text

Natural Sciences, Chemistry, Physics +17

Structural insight into the biogenesis of β-barrel membrane proteins

Nicholas Noinaj, Adam J. Kuszak, James C. Gumbart et al. · Nature · 2013 · 438 citations

Life Sciences, Biochemistry, Molecular Biology +14

Standard Binding Free Energies from Computer Simulations: What Is the Best Strategy?

James C. Gumbart, Christophe Chipot · Journal of Chemical Theory and Computation · 2012 · 354 citations

Natural Sciences, Biochemistry, Biophysics +17