Showing results (1-10 of 24) with videos related to
Sort By:
Pageof 3
Journal of Chemical Information and Computer Sciences|August 14, 2001
QSAR for boiling points of "small" sulfides. Are the "high-quality structure-property-activity regressions" the real high quality QSAR models?N S Zefirov, V A PalyulinBiomeditsinskaia Khimiia|December 24, 2024
Homology modeling of the orthoflavivirus NS1 protein for virtual screening of potential ligandsA D Fomina, V A Palyulin, D I OsolodkinSAR and QSAR in Environmental Research|June 23, 2009
Design of topological indices: computer-oriented approachM I Skvortsova, V A Palyulin, N S ZefirovSAR and QSAR in Environmental Research|June 20, 2002
A new scheme for electronegativity equalization as a source of electronic descriptors: application to chemical reactivityA A Oliferenko, P V Krylenko, V A Palyulin, et al.Doklady. Biochemistry and Biophysics|May 17, 2017
Molecular design of proneurogenic and neuroprotective compounds-allosteric NMDA receptor modulatorsD S Karlov, E V Radchenko, V A Palyulin, et al.SAR and QSAR in Environmental Research|December 20, 2017
Multipole models of sulphur for accurate anisotropic electrostatic interactions within force fieldsD A Shulga, O I Titov, S A Pisarev, et al.Journal of Molecular Graphics & Modelling|February 26, 2008
Molecular modeling of modified peptides, potent inhibitors of the xWNT8 and hWNT8 proteinsA E Voronkov, I I Baskin, V A Palyulin, et al.Doklady. Biochemistry and Biophysics|November 7, 2016
Prediction of blood-brain barrier permeability of organic compoundsA S Dyabina, E V Radchenko, V A Palyulin, et al.Doklady. Biochemistry and Biophysics|November 1, 2015
Novel bivalent positive allosteric modulators of AMPA receptorM I Lavrov, V V Grigor'ev, S O Bachurin, et al.SAR and QSAR in Environmental Research|March 4, 2008
Fast tools for calculation of atomic charges well suited for drug designD A Shulga, A A Oliferenko, S A Pisarev, et al.Pageof 3