Insight into Inhibitory Activity of Mycobacterial Dihydrofolate Reductase Inhibitors by In-silico Molecular Modeling Approaches Posted on September 8, 2015December 13, 2024 by Anonymous
Unexpected electron transfer mechanism upon AdoMet cleavage in radical SAM proteins Posted on September 8, 2015December 13, 2024 by Anonymous
Understanding Rubredoxin Redox Potentials: Role of H-Bonds on Model Complexes Posted on September 8, 2015December 13, 2024 by Anonymous
Drug-like Bioactive Structures and Conformational Coverage with the LigPrep/ConfGen Suite: Comparison to Programs MOE and Catalyst Posted on September 8, 2015December 13, 2024 by Anonymous
Ensemble Docking into Multiple Crystallographically Derived Protein Structures: An Evaluation Based on the Statistical Analysis of Enrichments Posted on September 8, 2015December 13, 2024 by Anonymous
Stereoselective Block of hERG Channel by Bupivacaine Scrutinized at Molecular Level Posted on September 8, 2015December 13, 2024 by Anonymous
The Two Enantiomers of Citalopram Bind to the Human Serotonin Transporter in Reversed Orientations Posted on September 8, 2015December 13, 2024 by Anonymous
ConfGen: A Conformational Search Method for Efficient Generation of Bioactive Conformers Posted on September 8, 2015December 13, 2024 by Anonymous
Molecular tweezers for enantiodiscrimination in NMR: Di-(R,R)-1-[10-(1-hydroxy-2,2,2-trifluoroethyl)-9-anthryl]-2,2,2-trifluoroethyl benzenedicarboxylates Posted on September 8, 2015December 13, 2024 by Anonymous
Structure and absolute configuration of ginkgolide B characterized by IR- and VCD spectroscopy Posted on September 8, 2015December 13, 2024 by Anonymous
Effect of methyl substitution in a ligand on the selectivity and binding affinity for a nucleobase: A case study with isoxanthopterin and its derivatives Posted on September 8, 2015December 13, 2024 by Anonymous
Chiral discrimination processes by C9 carbamate derivatives of dihydroquinine: interaction mechanisms of diastereoisomeric 9-O-[(S)- or (R)-1-(1-naphthyl)ethylcarbamate]dihydroquinine and the two enantiomers of N-(3,5-initrobenzoyl)alanine methyl ester Posted on September 8, 2015December 13, 2024 by Anonymous