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Konstantin I Popov

Showing results (1-10 of 44) with videos related to

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Langmuir : the ACS Journal of Surfaces and Colloids|June 22, 2007
Two mechanisms of spontaneous curvature of strongly adsorbed (2D) double comblike copolymersKonstantin I Popov, Igor I Potemkin
The Journal of Chemical Physics|December 3, 2008
Effect of grafting density of the side chains on spontaneous curvature and persistence length of two-dimensional comblike macromoleculesIgor I Potemkin, Konstantin I Popov
Arxiv|April 1, 2024
An Improved Metric and Benchmark for Assessing the Performance of Virtual Screening ModelsMichael Brocidiacono, Konstantin I Popov, Alexander Tropsha
Molecular Informatics|October 6, 2023
HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical librariesKonstantin I Popov, James Wellnitz, Travis Maxfield, et al.
Arxiv|August 7, 2023
PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular DockingMichael Brocidiacono, Konstantin I Popov, David Ryan Koes, et al.
Arxiv|March 30, 2026
Binding Free Energies without AlchemyMichael Brocidiacono, Brandon Novy, Rishabh Dey, et al.
Proteins|August 29, 2021
Mapping co-regulatory interactions among ligand-binding sites in ryanodine receptor 1Venkat R Chirasani, Konstantin I Popov, Gerhard Meissner, et al.
The Journal of Physical Chemistry. B|May 1, 2019
Uncovered Dynamic Coupling Resolves the Ambiguous Mechanism of Phenylalanine Hydroxylase Oxygen BindingDavid J Reilley, Konstantin I Popov, Nikolay V Dokholyan, et al.
Protein Science : a Publication of the Protein Society|September 24, 2025
A flexible, allosteric loop regulates protein activity and rewires electrostaticsDarex J Vera-Rodríguez, Paul J Sapienza, Konstantin I Popov, et al.
Journal of Chemical Information and Modeling|December 19, 2023
BigBind: Learning from Nonstructural Data for Structure-Based Virtual ScreeningMichael Brocidiacono, Paul Francoeur, Rishal Aggarwal, et al.
Pageof 5

Showing results (1-10 of 44) with videos related to

Sort By:
Pageof 5
Langmuir : the ACS Journal of Surfaces and Colloids|June 22, 2007
Two mechanisms of spontaneous curvature of strongly adsorbed (2D) double comblike copolymersKonstantin I Popov, Igor I Potemkin
The Journal of Chemical Physics|December 3, 2008
Effect of grafting density of the side chains on spontaneous curvature and persistence length of two-dimensional comblike macromoleculesIgor I Potemkin, Konstantin I Popov
Arxiv|April 1, 2024
An Improved Metric and Benchmark for Assessing the Performance of Virtual Screening ModelsMichael Brocidiacono, Konstantin I Popov, Alexander Tropsha
Molecular Informatics|October 6, 2023
HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra-large chemical librariesKonstantin I Popov, James Wellnitz, Travis Maxfield, et al.
Arxiv|August 7, 2023
PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular DockingMichael Brocidiacono, Konstantin I Popov, David Ryan Koes, et al.
Arxiv|March 30, 2026
Binding Free Energies without AlchemyMichael Brocidiacono, Brandon Novy, Rishabh Dey, et al.
Proteins|August 29, 2021
Mapping co-regulatory interactions among ligand-binding sites in ryanodine receptor 1Venkat R Chirasani, Konstantin I Popov, Gerhard Meissner, et al.
The Journal of Physical Chemistry. B|May 1, 2019
Uncovered Dynamic Coupling Resolves the Ambiguous Mechanism of Phenylalanine Hydroxylase Oxygen BindingDavid J Reilley, Konstantin I Popov, Nikolay V Dokholyan, et al.
Protein Science : a Publication of the Protein Society|September 24, 2025
A flexible, allosteric loop regulates protein activity and rewires electrostaticsDarex J Vera-Rodríguez, Paul J Sapienza, Konstantin I Popov, et al.
Journal of Chemical Information and Modeling|December 19, 2023
BigBind: Learning from Nonstructural Data for Structure-Based Virtual ScreeningMichael Brocidiacono, Paul Francoeur, Rishal Aggarwal, et al.
Pageof 5