Vladimir Potemkin

Grid-based Continual Analysis of Molecular Interior for Drug Discovery, QSAR and QSPR.

Grid-Based Technologies for In Silico Screening and Drug Design.

Antiplasmodial activity of hydroxyethylamine analogs: Synthesis, biological activity and structure activity relationship of plasmepsin inhibitors.

Topological Analysis of Electron Density in Large Biomolecular Systems.

Internet Resources for Drug Discovery and Design.

Quinazoline based 1,3,5-triazine derivatives as cancer inhibitors by impeding the phosphorylated RET tyrosine kinase pathway: Design, synthesis, docking, and QSAR study.

The structural basis of acid resistance in : insights from multiple pH regime molecular dynamics simulations.

1,2,4-Triazole-conjugated 1,3,4-thiadiazole hybrid scaffolds: A potent ameliorant of carrageenan-induced inflammation by lessening proinflammatory mediators.

Nonparametric chemical descriptors for the calculation of ligand-biopolymer affinities with machine-learning scoring functions.

The Influence of Hydrogen atoms on the Performance of Radial Distribution Function Based Descriptors in the Chemoinformatic Studies of HIV-1 Prote-ase Complexes with Inhibitors.