Yi Wang
Yi Wang
Associate professor, Chinese University of Hong Kong
Verified email at - Homepage
Cited by
Cited by
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
Structural mechanism of plant aquaporin gating
S Törnroth-Horsefield, Y Wang, K Hedfalk, U Johanson, M Karlsson, ...
Nature 439 (7077), 688-694, 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
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
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
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
Implementation of accelerated molecular dynamics in NAMD
Y Wang, CB Harrison, K Schulten, JA McCammon
Computational science & discovery 4 (1), 015002, 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
Nitric oxide conduction by the brain aquaporin AQP4
Y Wang, E Tajkhorshid
Proteins: Structure, Function, and Bioinformatics 78 (3), 661-670, 2010
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
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
Molecular mechanisms of conduction and selectivity in aquaporin water channels
Y Wang, E Tajkhorshid
The Journal of nutrition 137 (6), 1509S-1515S, 2007
Microsecond molecular dynamics simulations of lipid mixing
C Hong, DP Tieleman, Y Wang
Langmuir 30 (40), 11993-12001, 2014
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
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
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
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
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
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
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
The system can't perform the operation now. Try again later.
Articles 1–20