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Yury N Vorobjev

Showing results (1-10 of 16) with videos related to

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Journal of Computational Chemistry|October 13, 2009
Blind docking method combining search of low-resolution binding sites with ligand pose refinement by molecular dynamics-based global optimizationYury N Vorobjev
Journal of Biomolecular Structure & Dynamics|March 28, 2020
An effective molecular blocker of ion channel of M2 protein as anti-influenza a drugYury N Vorobjev
Journal of Computational Chemistry|January 27, 2012
Potential of mean force of water-proton bath and molecular dynamic simulation of proteins at constant pHYury N Vorobjev
Advances in Protein Chemistry and Structural Biology|September 17, 2011
Advances in implicit models of water solvent to compute conformational free energy and molecular dynamics of proteins at constant pHYury N Vorobjev
Protein Science : a Publication of the Protein Society|March 23, 2002
Free energies of protein decoys provide insight into determinants of protein stabilityYury N Vorobjev, Jan Hermans
Journal of Computational Chemistry|October 11, 2012
MDTRA: a molecular dynamics trajectory analyzer with a graphical user interfaceAlexander V Popov, Yury N Vorobjev, Dmitry O Zharkov
The Journal of Physical Chemistry. B|November 17, 2015
Evaluation of the Gibbs Free Energy Changes and Melting Temperatures of DNA/DNA Duplexes Using Hybridization Enthalpy Calculated by Molecular Dynamics SimulationAlexander A Lomzov, Yury N Vorobjev, Dmitrii V Pyshnyi
Journal of Biomolecular Structure & Dynamics|January 31, 2017
Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa's of proteins as a function of pH. Test on a large set of proteinsYury N Vorobjev, Harold A Scheraga, Jorge A Vila
The Journal of Physical Chemistry. B|August 8, 2008
FAMBE-pH: a fast and accurate method to compute the total solvation free energies of proteinsYury N Vorobjev, Jorge A Vila, Harold A Scheraga
Journal of Biomolecular Structure & Dynamics|September 9, 2017
A comprehensive analysis of the computed tautomer fractions of the imidazole ring of histidines in Loligo vulgarisYury N Vorobjev, Harold A Scheraga, Jorge A Vila
Pageof 2

Showing results (1-10 of 16) with videos related to

Sort By:
Pageof 2
Journal of Computational Chemistry|October 13, 2009
Blind docking method combining search of low-resolution binding sites with ligand pose refinement by molecular dynamics-based global optimizationYury N Vorobjev
Journal of Biomolecular Structure & Dynamics|March 28, 2020
An effective molecular blocker of ion channel of M2 protein as anti-influenza a drugYury N Vorobjev
Journal of Computational Chemistry|January 27, 2012
Potential of mean force of water-proton bath and molecular dynamic simulation of proteins at constant pHYury N Vorobjev
Advances in Protein Chemistry and Structural Biology|September 17, 2011
Advances in implicit models of water solvent to compute conformational free energy and molecular dynamics of proteins at constant pHYury N Vorobjev
Protein Science : a Publication of the Protein Society|March 23, 2002
Free energies of protein decoys provide insight into determinants of protein stabilityYury N Vorobjev, Jan Hermans
Journal of Computational Chemistry|October 11, 2012
MDTRA: a molecular dynamics trajectory analyzer with a graphical user interfaceAlexander V Popov, Yury N Vorobjev, Dmitry O Zharkov
The Journal of Physical Chemistry. B|November 17, 2015
Evaluation of the Gibbs Free Energy Changes and Melting Temperatures of DNA/DNA Duplexes Using Hybridization Enthalpy Calculated by Molecular Dynamics SimulationAlexander A Lomzov, Yury N Vorobjev, Dmitrii V Pyshnyi
Journal of Biomolecular Structure & Dynamics|January 31, 2017
Coupled molecular dynamics and continuum electrostatic method to compute the ionization pKa's of proteins as a function of pH. Test on a large set of proteinsYury N Vorobjev, Harold A Scheraga, Jorge A Vila
The Journal of Physical Chemistry. B|August 8, 2008
FAMBE-pH: a fast and accurate method to compute the total solvation free energies of proteinsYury N Vorobjev, Jorge A Vila, Harold A Scheraga
Journal of Biomolecular Structure & Dynamics|September 9, 2017
A comprehensive analysis of the computed tautomer fractions of the imidazole ring of histidines in Loligo vulgarisYury N Vorobjev, Harold A Scheraga, Jorge A Vila
Pageof 2