Contributions of water transfer energy to protein-ligand association and dissociation barriers: WaterMap analysis of a series of p38′ MAP kinase inhibitors Posted on September 8, 2015December 13, 2024 by Anonymous
Rational Design, Synthesis, and Pharmacological Evaluation of 2-Azanorbornane-3-exo,5-endo-dicarboxylic Acid: A Novel Conformationally Restricted Glutamic Acid Analogue Posted on September 8, 2015December 13, 2024 by Anonymous
Receptor- and ligand-based study of fullerene analogues: Comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations Posted on September 8, 2015December 13, 2024 by Anonymous
Stereostructure-Activity Studies on Agonists at the AMPA and Kainate Subtypes of Ionotropic Glutamate Receptors Posted on September 8, 2015December 13, 2024 by Anonymous
Illuminating HIV gp120-ligand recognition through computationally-driven optimization of antibody-recruiting molecules Posted on September 8, 2015December 13, 2024 by Anonymous
Metal-Dependent Inhibition of HIV-1 Integrase Posted on September 8, 2015December 13, 2024 by Anonymous
Fragment-based hit identification: Thinking in 3D Posted on September 8, 2015December 13, 2024 by Anonymous
Selective Agonists at Group II Metabotropic Glutamate Receptors: Synthesis, Stereochemistry, and Molecular Pharmacology of (S)- and (R)-2-Amino-4-(4-hydroxy[1,2,5]thiadiazol-3-yl) butyric Acid Posted on September 8, 2015December 13, 2024 by Anonymous
Bioguided discovery and pharmacophore modeling of the mycotoxic indole diterpene alkaloids penitrems as breast cancer proliferation, migration, and invasion inhibitors Posted on September 8, 2015December 13, 2024 by Anonymous
Solvent Models for Protein-Ligand Binding: Comparison of Implicit Solvent Poisson and Surface Generalized Born Models with Explicit Solvent Simulations Posted on September 8, 2015December 13, 2024 by Anonymous
Optimization, Pharmacophore Modeling and 3D-QSAR Studies of Sipholanes as Breast Cancer Migration and Proliferation Inhibitors Posted on September 8, 2015December 13, 2024 by Anonymous
New Linear Interaction Method for Binding Affinity Calculations Using a Continuum Solvent Model Posted on September 8, 2015December 13, 2024 by Anonymous