James C. Gumbart

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Klaus SchultenProfessor of Physics, University of Illinois at Urbana-ChampaignGeverifieerd e-mailadres voor ks.uiuc.edu
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignGeverifieerd e-mailadres voor Univ-Lorraine.fr
Emad Tajkhorshid, PhDProfessor of Biochemistry and Biophysics, University of IllinoisGeverifieerd e-mailadres voor illinois.edu
Elizabeth VillaHHMI and Department of Molecular Biology, University of California San DiegoGeverifieerd e-mailadres voor ucsd.edu
Anna PavlovaGeorgia Institute of TechnologyGeverifieerd e-mailadres voor gatech.edu
Benoit RouxProfessor of Biochemistry, The university of ChicagoGeverifieerd e-mailadres voor uchicago.edu
Nicholas NoinajAssociate Professor, Purdue UniversityGeverifieerd e-mailadres voor purdue.edu
Karl LundquistBioinformatics Data Scientist, Merck (EMD Serono)Geverifieerd e-mailadres voor gatech.edu
Anthony HazelGeorgia Institute of TechnologyGeverifieerd e-mailadres voor gatech.edu
Yui Tik Pang (Andrew)Georgia Institute of TechnologyGeverifieerd e-mailadres voor gatech.edu
Jerry M. ParksOak Ridge National LaboratoryGeverifieerd e-mailadres voor ornl.gov
Atanu AcharyaSyracuse University. Former affiliations: Georgia Tech, Yale University, and USCGeverifieerd e-mailadres voor syr.edu
Morgan BeebyImperial College LondonGeverifieerd e-mailadres voor imperial.ac.uk
Zijian ZhangGeorgia Institute of TechnologyGeverifieerd e-mailadres voor gatech.edu
Katie M. KuoGeorgia Institute of TechnologyGeverifieerd e-mailadres voor gatech.edu
Grant JensenDean, College of Physical and Mathematical SciencesGeverifieerd e-mailadres voor byu.edu
Yi WangAssociate professor, Chinese University of Hong KongGeverifieerd e-mailadres voor cuhk.edu.hk
Jeremy C SmithUniversity of Tennessee KnoxvilleGeverifieerd e-mailadres voor ornl.gov
Trevor LithgowMonash UniversityGeverifieerd e-mailadres voor monash.edu
Christopher RowleyAssociate Professor of Chemistry, Carleton UniversityGeverifieerd e-mailadres voor cunet.carleton.ca

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James C. Gumbart

Georgia Tech

Geverifieerd e-mailadres voor physics.gatech.edu - Homepage

Biophysics


Titel Sorteren op citaties Sorteren op jaar Sorteren op titel	Geciteerd door Geciteerd door	Jaar
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	19261	2005
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	581	2013
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	511	2014
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	492	2013
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	379	2013
Cryo-EM structure of the ribosome–SecYE complex in the membrane environment J Frauenfeld, J Gumbart, EO Sluis, S Funes, M Gartmann, B Beatrix, ... Nature structural & molecular biology 18 (5), 614-621, 2011	372	2011
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	368	2009
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	312	2012
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	279	2009
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	247	2005
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	237	2014
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	236	2012
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	231	2016
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	226	2013
The β-barrel assembly machinery in motion N Noinaj, JC Gumbart, SK Buchanan Nature Reviews Microbiology 15 (4), 197-204, 2017	218	2017
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	182	2014
Supercomputer-based ensemble docking drug discovery pipeline with application to COVID-19 A Acharya, R Agarwal, MB Baker, J Baudry, D Bhowmik, S Boehm, ... Journal of chemical information and modeling 60 (12), 5832-5852, 2020	179	2020
Architecture and assembly of the G ram‐positive cell wall M Beeby, JC Gumbart, B Roux, GJ Jensen Molecular microbiology 88 (4), 664-672, 2013	170	2013
Structural and functional characterization of the LPS transporter LptDE from Gram-negative pathogens I Botos, N Majdalani, SJ Mayclin, JG McCarthy, K Lundquist, D Wojtowicz, ... Structure 24 (6), 965-976, 2016	153	2016
Escherichia coli peptidoglycan structure and mechanics as predicted by atomic-scale simulations JC Gumbart, M Beeby, GJ Jensen, B Roux PLoS computational biology 10 (2), e1003475, 2014	153	2014

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