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Journal of Molecular Modeling|February 7, 2007
A molecular modeling study on the enantioselectivity of aryl alkyl ketone reductions by a NADPH-dependent carbonyl reductaseThomas R Cundari, Adriana Dinescu, Dunming Zhu, et al.Journal of Molecular Modeling|April 21, 2007
Theoretical study of geometrical and nonlinear optical properties of pyridinum N-phenolate betaine dyesWawrzyniec Niewodniczański, Wojciech BartkowiakJournal of Molecular Modeling|August 26, 2006
Quantitative structure-activity relationship (QSAR) studies of quinolone antibacterials against M. fortuitum and M. smegmatis using theoretical molecular descriptorsManish C Bagchi, Denise Mills, Subhash C BasakJournal of Molecular Modeling|October 19, 2006
Novel semi-automated methodology for developing highly predictive QSAR models: application for development of QSAR models for insect repellent amidesJayendra B Bhonsle, Apurba K Bhattacharjee, Raj K GuptaJournal of Molecular Modeling|May 25, 2006
CCR5 interactions with the variable 3 loop of gp120Kelby B Napier, Zi-xuan Wang, Stephen C Peiper, et al.Journal of Molecular Modeling|May 25, 2006
Molecular-dynamics simulations of pyronine 6G and rhodamine 6G dimers in aqueous solutionParawan Chuichay, Egor Vladimirov, Khatcharin Siriwong, et al.Journal of Molecular Modeling|June 2, 2006
Molecular model for host–guest interaction of tetraamino-tert-butylthiacalix[4]arene and tetraamino-tert-butylcalix[4]arene receptors with carboxylate and dicarboxylate guests: an ONIOM studyVithaya Ruangpornvisuti, Banchob WannoJournal of Molecular Modeling|May 25, 2020
Balanced polarizable Drude force field parameters for molecular anions: phosphates, sulfates, sulfamates, and oxidesAbhishek A Kognole, Asaminew H Aytenfisu, Alexander D MacKerellJournal of Molecular Modeling|May 28, 2020
In silico identification of new inhibitors for βeta-2-glycoprotein I as a major antigen in antiphospholipid antibody syndromeSoodeh Mahdian, Mahboobeh Zarrabi, Ashraf Moini, et al.Journal of Molecular Modeling|June 10, 2020
Studies on the interfacial behavior of DPPC/DPPG mixed monolayers in the presence of fluoxetineBin Xie, Changchun Hao, Ziyi Zhang, et al.Pageof 693