QSAR models for prediction of glycogen synthase kinase-3′ inhibitory activity of indirubin derivatives Posted on September 8, 2015December 13, 2024 by Anonymous
Discovery of new non-steroidal FXR ligands via a virtual screening workflow based on Phase shape and induced fit docking Posted on September 8, 2015December 13, 2024 by Anonymous
3-D QSAR and molecular docking studies on aryl benzofuran-2-yl ketoxime derivatives as candida albicans N-myristoyl transferase inhibitors Posted on September 8, 2015December 13, 2024 by Anonymous
On the Role of Crystal Packing Forces in Determining Protein Sidechain Conformations Posted on September 8, 2015December 13, 2024 by Anonymous
Testing physical models of passive membrane permeation Posted on September 8, 2015December 13, 2024 by Anonymous
FTree query construction for virtual screening: a statistical analysis Posted on September 8, 2015December 13, 2024 by Anonymous
Predicting and improving the membrane permeability of peptidic small molecules Posted on September 8, 2015December 13, 2024 by Anonymous
Identification of Plasmodium falciparum Spermidine Synthase Active Site Binders through Structure-Based Virtual Screening Posted on September 8, 2015December 13, 2024 by Anonymous
Optimization of 4-aminoquinoline/clotrimazole-based hybrid antimalarials: Further structure-activity relationships, in vivo studies, and preliminary toxicity profiling Posted on September 8, 2015December 13, 2024 by Anonymous
3D QSAR Methods: Phase and Catalyst Compared Posted on September 8, 2015December 13, 2024 by Anonymous
PHASE: A New Engine for Pharmacophore Perception, 3D QSAR Model Development, and 3D Database Screening. 1. Methodology and Preliminary Results Posted on September 8, 2015December 13, 2024 by Anonymous
The Translocation Kinetics of Antibiotics Through Porin OmpC: Insights from Structure-Based Solvation Mapping using WaterMap Posted on September 8, 2015December 13, 2024 by Anonymous