Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects Posted on September 8, 2015December 13, 2024 by Anonymous
Position 5.46 of the Serotonin 5-HT2A Receptor Contributes to a Species-Dependent Variation for the 5-HT2C Agonist (R)-9-Ethyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino[2,1-a]isoindol-6(2H)-one: Impact on Selectivity and Toxicological Evaluation Posted on September 8, 2015December 13, 2024 by Anonymous
Epik: a software program for pKa prediction and protonation state generation for drug-like molecules Posted on September 8, 2015December 13, 2024 by Anonymous
Driving forces for ligand migration in the leucine transporter Posted on September 8, 2015December 13, 2024 by Anonymous
Molecular Docking of Carbohydrate Ligands to Antibodies: Structural Validation against Crystal Structures Posted on September 8, 2015December 13, 2024 by Anonymous
Towards better refinement of comparative models: predicting loops in inexact environments Posted on September 8, 2015December 13, 2024 by Anonymous
QM/MM simulation on P450 BM3 enzyme catalysis mechanism Posted on September 8, 2015December 13, 2024 by Anonymous
Computational modeling of the electronic structure of Oligothiophenes with various side chains Posted on September 8, 2015December 13, 2024 by Anonymous
Modeling of isotope effects on binding oxamate to lactic dehydrogenase Posted on September 8, 2015December 13, 2024 by Anonymous
Bonded Exciplex Formation: Electronic and Stereoelectronic Effects Posted on September 8, 2015January 23, 2025 by Anonymous
Theoretical Study on the Redox Cycle of Bovine Glutathione Peroxidase GPx1: pKa Calculations, Docking, and Molecular Dynamics Simulations Posted on September 8, 2015December 13, 2024 by Anonymous
Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments Posted on September 8, 2015December 13, 2024 by Anonymous