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Page 1
Discovery of a Potent and Selective Tyrosine Kinase 2 Inhibitor: TAK-279.
J Med Chem. 2023 Aug 10;66(15):10473-10496. doi: 10.1021/acs.jmedchem.3c00600. Epub 2023 Jul 10.
J Med Chem. 2023.
PMID: 37427891
FEP Protocol Builder: Optimization of Free Energy Perturbation Protocols Using Active Learning.
de Oliveira C, Leswing K, Feng S, Kanters R, Abel R, Bhat S.
de Oliveira C, et al. Among authors: feng s.
J Chem Inf Model. 2023 Sep 11;63(17):5592-5603. doi: 10.1021/acs.jcim.3c00681. Epub 2023 Aug 18.
J Chem Inf Model. 2023.
PMID: 37594480
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Proton solvation and transport in hydrated nafion.
Feng S, Voth GA.
Feng S, et al.
J Phys Chem B. 2011 May 19;115(19):5903-12. doi: 10.1021/jp2002194. Epub 2011 Apr 21.
J Phys Chem B. 2011.
PMID: 21510678
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Prediction of Protein-Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations.
Clark AJ, Tiwary P, Borrelli K, Feng S, Miller EB, Abel R, Friesner RA, Berne BJ.
Clark AJ, et al. Among authors: feng s.
J Chem Theory Comput. 2016 Jun 14;12(6):2990-8. doi: 10.1021/acs.jctc.6b00201. Epub 2016 May 13.
J Chem Theory Comput. 2016.
PMID: 27145262
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Transferable Coarse-Grained Models for Ionic Liquids.
Wang Y, Feng S, Voth GA.
Wang Y, et al. Among authors: feng s.
J Chem Theory Comput. 2009 Apr 14;5(4):1091-8. doi: 10.1021/ct800548t.
J Chem Theory Comput. 2009.
PMID: 26609619
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Quantum instanton evaluation of the thermal rate constants and kinetic isotope effects for SiH4+H-->SiH3+H2 reaction in full Cartesian space.
Wang W, Feng S, Zhao Y.
Wang W, et al. Among authors: feng s.
J Chem Phys. 2007 Mar 21;126(11):114307. doi: 10.1063/1.2714510.
J Chem Phys. 2007.
PMID: 17381206
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