| Scalable molecular dynamics on CPU and GPU architectures with NAMD JC Phillips, DJ Hardy, JDC Maia, JE Stone, JV Ribeiro, RC Bernardi, ... The Journal of Chemical Physics 153 (4), 044130, 2020 | 2249 | 2020 |
| Structural mechanism of plant aquaporin gating S Törnroth-Horsefield, Y Wang, K Hedfalk, U Johanson, M Karlsson, ... Nature 439 (7077), 688-694, 2006 | 1012 | 2006 |
| 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 |
| Exploring gas permeability of cellular membranes and membrane channels with molecular dynamics Y Wang, J Cohen, WF Boron, K Schulten, E Tajkhorshid Journal of structural biology 157 (3), 534-544, 2007 | 232 | 2007 |
| 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 |
| What makes an aquaporin a glycerol channel? A comparative study of AqpZ and GlpF Y Wang, K Schulten, E Tajkhorshid Structure 13 (8), 1107-1118, 2005 | 218 | 2005 |
| Implementation of accelerated molecular dynamics in NAMD Y Wang, CB Harrison, K Schulten, JA McCammon Computational science & discovery 4 (1), 015002, 2011 | 155 | 2011 |
| Electrostatic funneling of substrate in mitochondrial inner membrane carriers Y Wang, E Tajkhorshid Proceedings of the National Academy of Sciences 105 (28), 9598-9603, 2008 | 152 | 2008 |
| Enhanced mechanosensing of cells in synthetic 3D matrix with controlled biophysical dynamics B Yang, K Wei, C Loebel, K Zhang, Q Feng, R Li, SHD Wong, X Xu, C Lau, ... Nature Communications 12 (1), 1-13, 2021 | 147 | 2021 |
| Gaussian accelerated molecular dynamics in NAMD YT Pang, Y Miao, Y Wang, JA McCammon Journal of chemical theory and computation 13 (1), 9-19, 2017 | 141 | 2017 |
| Nitric oxide conduction by the brain aquaporin AQP4 Y Wang, E Tajkhorshid Proteins: Structure, Function, and Bioinformatics 78 (3), 661-670, 2010 | 139 | 2010 |
| Accelerating Membrane Simulations with Hydrogen Mass Repartitioning C Balusek, H Hwang, CH Lau, K Lundquist, A Hazel, A Pavlova, DL Lynch, ... Journal of chemical theory and computation 15 (8), 4673-4686, 2019 | 127 | 2019 |
| Microsecond molecular dynamics simulations of lipid mixing C Hong, DP Tieleman, Y Wang Langmuir 30 (40), 11993-12001, 2014 | 125 | 2014 |
| Molecular mechanisms of conduction and selectivity in aquaporin water channels Y Wang, E Tajkhorshid The Journal of nutrition 137 (6), 1509S-1515S, 2007 | 125 | 2007 |
| Structural and functional analysis of SoPIP2; 1 mutants adds insight into plant aquaporin gating M Nyblom, A Frick, Y Wang, M Ekvall, K Hallgren, K Hedfalk, R Neutze, ... Journal of molecular biology 387 (3), 653-668, 2009 | 121 | 2009 |
| Comparative molecular dynamics simulations of the antimicrobial peptide CM15 in model lipid bilayers Y Wang, DE Schlamadinger, JE Kim, JA McCammon Biochimica et Biophysica Acta (BBA)-Biomembranes, 2012 | 105 | 2012 |
| Identification of triazinoindol-benzimidazolones as nanomolar inhibitors of the Mycobacterium tuberculosis enzyme TDP-6-deoxy-d-xylo-4-hexopyranosid-4-ulose 3, 5-epimerase (RmlC) S Sivendran, V Jones, D Sun, Y Wang, AE Grzegorzewicz, MS Scherman, ... Bioorganic & medicinal chemistry 18 (2), 896-908, 2010 | 96 | 2010 |
| Antimicrobial Peptide Simulations and the Influence of Force Field on the Free Energy for Pore Formation in Lipid Bilayers WFD Bennett, CK Hong, Y Wang, DP Tieleman Journal of Chemical Theory and Computation 12 (9), 4524-4533, 2016 | 95 | 2016 |
| Enhanced lipid diffusion and mixing in accelerated molecular dynamics Y Wang, PRL Markwick, CAF de Oliveira, JA McCammon Journal of Chemical Theory and Computation, 2011 | 72 | 2011 |
| Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase O Levsh, YC Chiang, CF Tung, JP Noel, Y Wang, JK Weng Biochemistry 55 (45), 6314-6326, 2016 | 68 | 2016 |
Emad Tajkhorshid, PhDProfessor of Biochemistry and Biophysics, University of IllinoisVerified email at illinois.edu
