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Optical Absorption of the Antitrypanocidal Drug Benznidazole in Water, , , , , , , , and . MOLECULES, 19 (4): 4145-4156 (2014)The quantum biophysics of the isoniazid adduct NADH binding to its InhA reductase target, , , , , and . NEW JOURNAL OF CHEMISTRY, 38 (7): 2946-2957 (2014)A quantum biochemistry investigation of willardiine partial agonism in AMPA receptors, , , , , , , and . PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 17 (19): 13092-13103 (2015)Explaining statin inhibition effectiveness of HMG-CoA reductase by quantum biochemistry computations, , , , , , and . PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 14 (4): 1389-1398 (2012)Two Binding Geometries for Risperidone in Dopamine D3 Receptors: Insights on the Fast-Off Mechanism through Docking, Quantum Biochemistry, and Molecular Dynamics Simulations, , , , , , , and . ACS CHEMICAL NEUROSCIENCE, 7 (10): 1331-1347 (2016)Antipsychotic Haloperidol Binding to the Human Dopamine D3 Receptor: Beyond Docking Through QM/MM Refinement Toward the Design of Improved Schizophrenia Medicines, , , , , , , and . ACS CHEMICAL NEUROSCIENCE, 5 (10): 1041-1054 (2014)Antitumor Potential of the Isoflavonoids (+)- and (-)-2,3,9-Trimethoxypterocarpan: Mechanism-of-Action Studies, , , , , , , , , and 4 other author(s). ACS MEDICINAL CHEMISTRY LETTERS, 11 (6): 1274-1280 (2020)Quantum molecular modelling of ibuprofen bound to human serum albumin, , , , , , , , and . RSC ADVANCES, 5 (61): 49439-49450 (2015)Quantum analysis/improvement of antipsychotic's docking results, , , , , and . FASEB JOURNAL, (2013)Joint Annual Meeting of the ASPET/BPS at Experimental Biology (EB), Boston, MA, APR 20-24, 2013.