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Yujie Wu, Ph.D. - Publications

Affiliations: 
2005 University of Utah, Salt Lake City, UT 
Area:
General Biophysics, Physical Chemistry, Molecular Biology
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14 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Chen W, Deng Y, Russell E, Wu Y, Abel R, Wang L. Accurate calculation of relative binding free energies between ligands with different net charges. Journal of Chemical Theory and Computation. PMID 30375870 DOI: 10.1021/Acs.Jctc.8B00825  0.324
2017 Yu HS, Deng Y, Wu Y, Sindhikara D, Rask AR, Kimura T, Abel R, Wang L. Accurate and Reliable Prediction of the Binding Affinities of Macrocycles to Their Protein Targets. Journal of Chemical Theory and Computation. PMID 29120625 DOI: 10.1021/Acs.Jctc.7B00885  0.306
2013 Wang L, Deng Y, Knight JL, Wu Y, Kim B, Sherman W, Shelley JC, Lin T, Abel R. Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors. Journal of Chemical Theory and Computation. 9: 1282-93. PMID 26588769 DOI: 10.1021/Ct300911A  0.309
2010 Shivakumar D, Williams J, Wu Y, Damm W, Shelley J, Sherman W. Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field. Journal of Chemical Theory and Computation. 6: 1509-19. PMID 26615687 DOI: 10.1021/Ct900587B  0.3
2008 Wu Y, Chen H, Wang F, Paesani F, Voth GA. An improved multistate empirical valence bond model for aqueous proton solvation and transport. The Journal of Physical Chemistry. B. 112: 467-82. PMID 17999484 DOI: 10.1021/Jp076658H  0.606
2007 Chen H, Wu Y, Voth GA. Proton transport behavior through the influenza A M2 channel: insights from molecular simulation. Biophysical Journal. 93: 3470-9. PMID 17693473 DOI: 10.1529/Biophysj.107.105742  0.541
2007 Swanson JM, Maupin CM, Chen H, Petersen MK, Xu J, Wu Y, Voth GA. Proton solvation and transport in aqueous and biomolecular systems: insights from computer simulations. The Journal of Physical Chemistry. B. 111: 4300-14. PMID 17429993 DOI: 10.1021/Jp070104X  0.607
2007 Chen H, Ilan B, Wu Y, Zhu F, Schulten K, Voth GA. Charge delocalization in proton channels, I: the aquaporin channels and proton blockage. Biophysical Journal. 92: 46-60. PMID 17056733 DOI: 10.1529/Biophysj.106.091934  0.522
2007 Wu Y, Ilan B, Voth GA. Charge delocalization in proton channels, II: the synthetic LS2 channel and proton selectivity. Biophysical Journal. 92: 61-9. PMID 17056732 DOI: 10.1529/Biophysj.106.091942  0.492
2006 Chen H, Wu Y, Voth GA. Origins of proton transport behavior from selectivity domain mutations of the aquaporin-1 channel. Biophysical Journal. 90: L73-5. PMID 16581846 DOI: 10.1529/Biophysj.106.084061  0.534
2006 Wu Y, Tepper HL, Voth GA. Flexible simple point-charge water model with improved liquid-state properties. The Journal of Chemical Physics. 124: 024503. PMID 16422607 DOI: 10.1063/1.2136877  0.467
2005 Wu Y, Voth GA. A computational study of the closed and open states of the influenza a M2 proton channel. Biophysical Journal. 89: 2402-11. PMID 16040757 DOI: 10.1529/Biophysj.105.066647  0.487
2003 Wu Y, Voth GA. Computational studies of proton transport through the M2 channel. Febs Letters. 552: 23-7. PMID 12972147 DOI: 10.1016/S0014-5793(03)00779-8  0.501
2003 Wu Y, Voth GA. A computer simulation study of the hydrated proton in a synthetic proton channel. Biophysical Journal. 85: 864-75. PMID 12885634 DOI: 10.1016/S0006-3495(03)74526-3  0.505
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