Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis Posted on September 8, 2015December 13, 2024 by Anonymous
Closing the side-chain gap in protein loop modeling Posted on September 8, 2015December 13, 2024 by Anonymous
Extension of QM/MM docking and its applications to metalloproteins Posted on September 8, 2015December 13, 2024 by Anonymous
Correlation between Performance of QM/MM Docking and Simple Classification of Binding Sites Posted on September 8, 2015December 13, 2024 by Anonymous
Discovery of Novel Fibroblast Growth Factor Receptor 1 Kinase Inhibitors by Structure-Based Virtual Screening Posted on September 8, 2015December 13, 2024 by Anonymous
Probing the ‘-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis Posted on September 8, 2015November 28, 2023 by Anonymous
Peroxide-dependent formation of a covalent link between Trp51 and the heme in cytochrome c peroxidase Posted on September 8, 2015December 13, 2024 by Anonymous
Quantitative DFT modeling of the enantiomeric excess for dioxirane-catalyzed epoxidations Posted on September 8, 2015December 13, 2024 by Anonymous
Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field Posted on September 8, 2015December 13, 2024 by Anonymous
A Role for a Specific Cholesterol Interaction in Stabilizing the Apo Configuration of the Human A2A Adenosine Receptor Posted on September 8, 2015December 13, 2024 by Anonymous
Exploring Structural Variability in X-Ray Crystallographic Models Using Protein Local Optimization by Torsion-Angle Sampling Posted on September 8, 2015December 13, 2024 by Anonymous
Computational Approaches for Fragment-Based and De Novo Design Posted on September 8, 2015December 13, 2024 by Anonymous