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Yi Wang
Yi Wang
Associate professor, Chinese University of Hong Kong
Verified email at cuhk.edu.hk - Homepage
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Cited by
Cited by
Year
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
19322020
Structural mechanism of plant aquaporin gating
S Törnroth-Horsefield, Y Wang, K Hedfalk, U Johanson, M Karlsson, ...
Nature 439 (7077), 688-694, 2006
9862006
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
2442005
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
2282007
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
2162005
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
2102016
Implementation of accelerated molecular dynamics in NAMD
Y Wang, CB Harrison, K Schulten, JA McCammon
Computational science & discovery 4 (1), 015002, 2011
1532011
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
1522008
Nitric oxide conduction by the brain aquaporin AQP4
Y Wang, E Tajkhorshid
Proteins: Structure, Function, and Bioinformatics 78 (3), 661-670, 2010
1372010
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
1262017
Molecular mechanisms of conduction and selectivity in aquaporin water channels
Y Wang, E Tajkhorshid
The Journal of nutrition 137 (6), 1509S-1515S, 2007
1242007
Microsecond molecular dynamics simulations of lipid mixing
C Hong, DP Tieleman, Y Wang
Langmuir 30 (40), 11993-12001, 2014
1192014
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
1192009
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
1162021
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
1072019
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
1052012
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
942010
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
932016
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
712011
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
682016
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Articles 1–20