Yujie Wu
Yujie Wu
Verifierad e-postadress på schrodinger.com
Titel
Citeras av
Citeras av
År
Prediction of absolute solvation free energies using molecular dynamics free energy perturbation and the OPLS force field
D Shivakumar, J Williams, Y Wu, W Damm, J Shelley, W Sherman
Journal of chemical theory and computation 6 (5), 1509-1519, 2010
9032010
Flexible simple point-charge water model with improved liquid-state properties
Y Wu, HL Tepper, GA Voth
The Journal of chemical physics 124 (2), 024503, 2006
8452006
Accurate and reliable prediction of relative ligand binding potency in prospective drug discovery by way of a modern free-energy calculation protocol and force field
L Wang, Y Wu, Y Deng, B Kim, L Pierce, G Krilov, D Lupyan, S Robinson, ...
Journal of the American Chemical Society 137 (7), 2695-2703, 2015
5872015
Proton solvation and transport in aqueous and biomolecular systems: insights from computer simulations
JMJ Swanson, CM Maupin, H Chen, MK Petersen, J Xu, Y Wu, GA Voth
The Journal of Physical Chemistry B 111 (17), 4300-4314, 2007
2802007
An improved multistate empirical valence bond model for aqueous proton solvation and transport
Y Wu, H Chen, F Wang, F Paesani, GA Voth
The Journal of Physical Chemistry B 112 (2), 467-482, 2008
2422008
Modeling local structural rearrangements using FEP/REST: application to relative binding affinity predictions of CDK2 inhibitors
L Wang, Y Deng, JL Knight, Y Wu, B Kim, W Sherman, JC Shelley, T Lin, ...
Journal of chemical theory and computation 9 (2), 1282-1293, 2013
1342013
Proton transport behavior through the influenza A M2 channel: insights from molecular simulation
H Chen, Y Wu, GA Voth
Biophysical Journal 93 (10), 3470-3479, 2007
1202007
Charge delocalization in proton channels, I: the aquaporin channels and proton blockage
H Chen, B Ilan, Y Wu, F Zhu, K Schulten, GA Voth
Biophysical journal 92 (1), 46-60, 2007
822007
Origins of proton transport behavior from selectivity domain mutations of the aquaporin-1 channel
H Chen, Y Wu, GA Voth
Biophysical journal 90 (10), L73-L75, 2006
792006
Lead optimization mapper: automating free energy calculations for lead optimization
S Liu, Y Wu, T Lin, R Abel, JP Redmann, CM Summa, VR Jaber, NM Lim, ...
Journal of computer-aided molecular design 27 (9), 755-770, 2013
722013
A computer simulation study of the hydrated proton in a synthetic proton channel
Y Wu, GA Voth
Biophysical journal 85 (2), 864-875, 2003
682003
Accurate modeling of scaffold hopping transformations in drug discovery
L Wang, Y Deng, Y Wu, B Kim, DN LeBard, D Wandschneider, M Beachy, ...
Journal of chemical theory and computation 13 (1), 42-54, 2017
562017
A computational study of the closed and open states of the influenza a M2 proton channel
Y Wu, GA Voth
Biophysical journal 89 (4), 2402-2411, 2005
532005
Accurate calculation of relative binding free energies between ligands with different net charges
W Chen, Y Deng, E Russell, Y Wu, R Abel, L Wang
Journal of chemical theory and computation 14 (12), 6346-6358, 2018
322018
Computational studies of proton transport through the M2 channel
Y Wu, GA Voth
FEBS letters 552 (1), 23-27, 2003
292003
Charge delocalization in proton channels, II: the synthetic LS2 channel and proton selectivity
Y Wu, B Ilan, GA Voth
Biophysical journal 92 (1), 61-69, 2007
282007
Thermal stable and oxidation-resistant variant of subtilisin E
Y Yang, L Jiang, L Zhu, Y Wu, S Yang
Journal of biotechnology 81 (2-3), 113-118, 2000
282000
Accurate and reliable prediction of the binding affinities of macrocycles to their protein targets
HS Yu, Y Deng, Y Wu, D Sindhikara, AR Rask, T Kimura, R Abel, L Wang
Journal of chemical theory and computation 13 (12), 6290-6300, 2017
232017
Harder, Woody Sherman, Mark Brewer, Ron Wester, Mark Murcko, Leah Frye, Ramy Farid, Teng Lin, David L. Mobley, William L. Jorgensen, Bruce J. Berne, Richard A. Friesner, and …
L Wang, Y Wu, Y Deng, B Kim, L Pierce, G Krilov, D Lupyan, S Robinson, ...
J. Am. Chem. Soc 137 (7), 2695-2703, 2015
192015
A mutant subtilisin E with enhanced thermostability
Y Yang, L Jiang, S Yang, L Zhu, Y Wu, Z Li
World Journal of Microbiology and Biotechnology 16 (3), 249-251, 2000
142000
Systemet kan inte utföra åtgärden just nu. Försök igen senare.
Artiklar 1–20