Alexey Nikitin


Software projects

On biomolecular-modeling, Google code and SourceForge:

Ascalaph Designer
Ascalaph Quantum
Ascalaph Graphics


Graduated (1991) Moscow State University, Chemical Faculty

Ph.D.(2003) Engelhardt Institute of Molecular Biology
"Design and synthesis of low-molecular DNA-binding ligands".


Scientific interests

Synthesis of biologically active compounds.
Molecular modeling.


Selected publications

Nikitin, A.M. and Lyubartsev A.P.
New Six-site Acetonitrile Model for Simulations of Liquid Acetonitrile and its Aqueous Mixtures
J. Comput. Chem. 2007. v.28. N.12 pp.2020-2026

Surovaya, A.N., Burckhardt, G., Grokhovsky, S.L., Birch-Hirschfield, E., Nikitin, A.M., Fritsche, H., Zimmer, Ch. and Gursky, G.V.
Binding of bis-linked netropsin derivatives in the parallel-stranded hairpin form to DNA
J. Biomol. Struct. Dyn. 2001. v.18. N.5. pp.687-701.