James C. Gumbart
James C. Gumbart
Verified email at physics.gatech.edu - Homepage
Title
Cited by
Cited by
Year
Scalable molecular dynamics with NAMD
JC Phillips, R Braun, W Wang, J Gumbart, E Tajkhorshid, E Villa, C Chipot, ...
Journal of computational chemistry 26 (16), 1781-1802, 2005
141382005
Rapid parameterization of small molecules using the force field toolkit
CG Mayne, J Saam, K Schulten, E Tajkhorshid, JC Gumbart
Journal of computational chemistry 34 (32), 2757-2770, 2013
3352013
Structural insight into the biogenesis of β-barrel membrane proteins
N Noinaj, AJ Kuszak, JC Gumbart, P Lukacik, H Chang, NC Easley, ...
Nature 501 (7467), 385-390, 2013
3182013
Structure of monomeric yeast and mammalian Sec61 complexes interacting with the translating ribosome
T Becker, S Bhushan, A Jarasch, JP Armache, S Funes, F Jossinet, ...
science 326 (5958), 1369-1373, 2009
3052009
Cryo-EM structure of the ribosome–SecYE complex in the membrane environment
J Frauenfeld, J Gumbart, EO Van Der Sluis, S Funes, M Gartmann, ...
Nature structural & molecular biology 18 (5), 614, 2011
2952011
Standard binding free energies from computer simulations: What is the best strategy?
JC Gumbart, B Roux, C Chipot
Journal of chemical theory and computation 9 (1), 794-802, 2013
2392013
The adaptive biasing force method: Everything you always wanted to know but were afraid to ask
J Comer, JC Gumbart, J Hénin, T Lelièvre, A Pohorille, C Chipot
The Journal of Physical Chemistry B 119 (3), 1129-1151, 2014
2202014
Molecular dynamics simulations of membrane channels and transporters
F Khalili-Araghi, J Gumbart, PC Wen, M Sotomayor, E Tajkhorshid, ...
Current opinion in structural biology 19 (2), 128-137, 2009
2132009
Structural basis for iron piracy by pathogenic Neisseria
N Noinaj, NC Easley, M Oke, N Mizuno, J Gumbart, E Boura, AN Steere, ...
Nature 483 (7387), 53-58, 2012
2102012
Molecular dynamics simulations of proteins in lipid bilayers
J Gumbart, Y Wang, A Aksimentiev, E Tajkhorshid, K Schulten
Current opinion in structural biology 15 (4), 423-431, 2005
2082005
Lateral opening and exit pore formation are required for BamA function
N Noinaj, AJ Kuszak, C Balusek, JC Gumbart, SK Buchanan
Structure 22 (7), 1055-1062, 2014
1522014
Structure of the SecY channel during initiation of protein translocation
E Park, JF Ménétret, JC Gumbart, SJ Ludtke, W Li, A Whynot, TA Rapoport, ...
Nature 506 (7486), 102-106, 2014
1352014
Efficient determination of protein–protein standard binding free energies from first principles
JC Gumbart, B Roux, C Chipot
Journal of chemical theory and computation 9 (8), 3789-3798, 2013
1292013
Constant electric field simulations of the membrane potential illustrated with simple systems
J Gumbart, F Khalili-Araghi, M Sotomayor, B Roux
Biochimica et Biophysica Acta (BBA)-Biomembranes 1818 (2), 294-302, 2012
1182012
Regulation of the protein-conducting channel by a bound ribosome
J Gumbart, LG Trabuco, E Schreiner, E Villa, K Schulten
Structure 17 (11), 1453-1464, 2009
1152009
Molecular dynamics studies of the archaeal translocon
J Gumbart, K Schulten
Biophysical journal 90 (7), 2356-2367, 2006
1102006
Simulation-based approaches for determining membrane permeability of small compounds
CT Lee, J Comer, C Herndon, N Leung, A Pavlova, RV Swift, C Tung, ...
Journal of chemical information and modeling 56 (4), 721-733, 2016
1092016
The β-barrel assembly machinery in motion
N Noinaj, JC Gumbart, SK Buchanan
Nature Reviews Microbiology 15 (4), 197-204, 2017
1062017
Mechanics of force propagation in TonB-dependent outer membrane transport
J Gumbart, MC Wiener, E Tajkhorshid
Biophysical journal 93 (2), 496-504, 2007
1022007
Intrinsic curvature properties of photosynthetic proteins in chromatophores
DE Chandler, J Hsin, CB Harrison, J Gumbart, K Schulten
Biophysical journal 95 (6), 2822-2836, 2008
962008
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