| 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 | 19154 | 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 | 569 | 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 | 499 | 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 | 485 | 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 | 371 | 2011 |
| 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 | 370 | 2013 |
| 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 | 369 | 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 | 305 | 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 | 275 | 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 | 236 | 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 | 227 | 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 | 223 | 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 | 217 | 2013 |
| The β-barrel assembly machinery in motion N Noinaj, JC Gumbart, SK Buchanan Nature Reviews Microbiology 15 (4), 197-204, 2017 | 214 | 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 | 179 | 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 | 176 | 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 | 168 | 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 | 151 | 2016 |
| 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 | 146 | 2009 |
Klaus SchultenProfessor of Physics, University of Illinois at Urbana-ChampaignVerified email at ks.uiuc.edu
