Vlad Home Page

Computational Chemistry Kit

MMPRO - Visualization & Analysis Program

C/C++, OpenGL, wxWidgets(wxWindows), Molecular Editor, Visualization and Analysis, PCA

QM/MM

Towards All-Electron Description of Biomolecular Systems: Estimating the Binding Affinity in the Target-Ligand Complexes

(Talk on the 5th European Conference on Computational Chemistry, La Londe les Maures, France, June 15-20, 2004)

Towards Automatic Virtual Screening for the Optimization of Lead Compounds

Determination of Effective Dielectric Constant

Fast pairwise evaluation of molecular surface