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PMFF: Development of a Physics-Based Molecular Force Field for Protein Simulation and Ligand Docking.
Hwang SB, Lee CJ, Lee S, Ma S, Kang YM, Cho KH, Kim SY, Kwon OY, Yoon CN, Kang YK, Yoon JH, Nam KY, Kim SG, In Y, Chai HH, Acree WE Jr, Grant JA, Gibson KD, Jhon MS, Scheraga HA, No KT. Hwang SB, et al. Among authors: kim sg, kim sy. J Phys Chem B. 2020 Feb 13;124(6):974-989. doi: 10.1021/acs.jpcb.9b10339. Epub 2020 Jan 29. J Phys Chem B. 2020. PMID: 31939671 Free PMC article.
Regioselectivity prediction of CYP1A2-mediated phase I metabolism.
Jung J, Kim ND, Kim SY, Choi I, Cho KH, Oh WS, Kim DN, No KT. Jung J, et al. Among authors: kim nd, kim sy, kim dn. J Chem Inf Model. 2008 May;48(5):1074-80. doi: 10.1021/ci800001m. Epub 2008 Apr 16. J Chem Inf Model. 2008. PMID: 18412330
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