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Vladimir A Palyulin

Showing results (1-10 of 95) with videos related to

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Journal of Chemical Information and Computer Sciences|October 16, 2002
Fragmental approach in QSPRNikolai S Zefirov, Vladimir A Palyulin
Journal of Molecular Graphics & Modelling|November 11, 2006
Computer aided comparative analysis of the binding modes of the adenosine receptor agonists for all known subtypes of adenosine receptorsAndrei A Ivanov, Vladimir A Palyulin, Nikolai S Zefirov
Chemical Biology & Drug Design|June 18, 2011
Structure-based virtual screening of glycogen synthase kinase 3β inhibitors: analysis of scoring functions applied to large true actives and decoy setsDmitry I Osolodkin, Vladimir A Palyulin, Nikolay S Zefirov
Journal of Chemical Information and Modeling|October 26, 2007
Generation of molecular graphs for QSAR studies: an approach based on supergraphsAndrey A Melnikov, Vladimir A Palyulin, Nikolai S Zefirov
Current Pharmaceutical Design|September 29, 2012
Glycogen synthase kinase 3 as an anticancer drug target: novel experimental findings and trends in the design of inhibitorsDmitry I Osolodkin, Vladimir A Palyulin, Nikolay S Zefirov
Journal of Computational Chemistry|April 25, 2024
Do electrostatic interactions make a difference in physics-based AutoDock4 scoring function?Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
The Journal of Physical Chemistry. A|September 2, 2022
Is an Inductive Effect Explicit Account Required for Atomic Charges Aimed at Use within the Force Fields?Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
Journal of Chemical Theory and Computation|December 22, 2018
Quadrupole Correction: From Molecular Electrostatic Potential to Free Energies of Halogen BondingOleg I Titov, Dmitry A Shulga, Vladimir A Palyulin
Journal of Chemical Information and Modeling|March 19, 2019
Iterative Solvers for Empirical Partial Atomic Charges: Breaking the Curse of Cubic Numerical ComplexityArslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
Molecules (Basel, Switzerland)|March 26, 2022
In Silico Structure-Based Approach for Group Efficiency Estimation in Fragment-Based Drug Design Using Evaluation of Fragment ContributionsDmitry A Shulga, Nikita N Ivanov, Vladimir A Palyulin
Pageof 10

Showing results (1-10 of 95) with videos related to

Sort By:
Pageof 10
Journal of Chemical Information and Computer Sciences|October 16, 2002
Fragmental approach in QSPRNikolai S Zefirov, Vladimir A Palyulin
Journal of Molecular Graphics & Modelling|November 11, 2006
Computer aided comparative analysis of the binding modes of the adenosine receptor agonists for all known subtypes of adenosine receptorsAndrei A Ivanov, Vladimir A Palyulin, Nikolai S Zefirov
Chemical Biology & Drug Design|June 18, 2011
Structure-based virtual screening of glycogen synthase kinase 3β inhibitors: analysis of scoring functions applied to large true actives and decoy setsDmitry I Osolodkin, Vladimir A Palyulin, Nikolay S Zefirov
Journal of Chemical Information and Modeling|October 26, 2007
Generation of molecular graphs for QSAR studies: an approach based on supergraphsAndrey A Melnikov, Vladimir A Palyulin, Nikolai S Zefirov
Current Pharmaceutical Design|September 29, 2012
Glycogen synthase kinase 3 as an anticancer drug target: novel experimental findings and trends in the design of inhibitorsDmitry I Osolodkin, Vladimir A Palyulin, Nikolay S Zefirov
Journal of Computational Chemistry|April 25, 2024
Do electrostatic interactions make a difference in physics-based AutoDock4 scoring function?Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
The Journal of Physical Chemistry. A|September 2, 2022
Is an Inductive Effect Explicit Account Required for Atomic Charges Aimed at Use within the Force Fields?Arslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
Journal of Chemical Theory and Computation|December 22, 2018
Quadrupole Correction: From Molecular Electrostatic Potential to Free Energies of Halogen BondingOleg I Titov, Dmitry A Shulga, Vladimir A Palyulin
Journal of Chemical Information and Modeling|March 19, 2019
Iterative Solvers for Empirical Partial Atomic Charges: Breaking the Curse of Cubic Numerical ComplexityArslan R Shaimardanov, Dmitry A Shulga, Vladimir A Palyulin
Molecules (Basel, Switzerland)|March 26, 2022
In Silico Structure-Based Approach for Group Efficiency Estimation in Fragment-Based Drug Design Using Evaluation of Fragment ContributionsDmitry A Shulga, Nikita N Ivanov, Vladimir A Palyulin
Pageof 10