Improved Methods for Side Chain and Loop Predictions via the Protein Local Optimization Program: Variable Dielectric Model for Implicitly Improving the Treatment of Polarization Effects Posted on September 8, 2015December 13, 2024 by Anonymous
Molecular determinants of selectivity and efficacy at the dopamine D3 receptor Posted on September 8, 2015December 13, 2024 by Anonymous
PIPER: An FFT-based protein docking program with pairwise potentials Posted on September 8, 2015December 13, 2024 by Anonymous
DARS (Decoys As the Reference State) Potentials for Protein-Protein Docking Posted on September 8, 2015December 13, 2024 by Anonymous
The 4th meeting on the Critical Assessment of Predicted Interaction (CAPRI) held at the Mare Nostrum, Barcelona Posted on September 8, 2015December 13, 2024 by Anonymous
Lead identification of acetylcholinesterase inhibitors-histamine H3 receptor antagonists from molecular modeling Posted on September 8, 2015December 13, 2024 by Anonymous
E-Pharmacophore mapping and docking studies on Vitamin D receptor (VDR) Posted on September 8, 2015December 13, 2024 by Anonymous
Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (part I): Virtual screening and activity assays Posted on September 8, 2015December 13, 2024 by Anonymous
The role of tyrosine 177 in human 11′-hydroxysteroid dehydrogenase type 1 in substrate and inhibitor binding: an unlikely hydrogen bond donor for the substrate Posted on September 8, 2015December 13, 2024 by Anonymous
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids Posted on September 8, 2015December 13, 2024 by Anonymous
Role of the active-site solvent in the thermodynamics of factor Xa ligand binding Posted on September 8, 2015December 13, 2024 by Anonymous
Mixed Quantum Mechanical/ Molecular Mechanical (QM/MM) Study of the Deacylation Reaction in a Penicillin Binding Protein (PBP) Versus in a Class C ‘-Lactamase Posted on September 8, 2015December 13, 2024 by Anonymous