Search research articles
Contact Us
Filters
Showing results (1-10 of 44) with videos related to
Page
of 5
Sort By:
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 22, 2007
Two mechanisms of spontaneous curvature of strongly adsorbed (2D) double comblike copolymers
Konstantin 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 macromolecules
Igor I Potemkin, Konstantin I Popov
Arxiv
|
April 1, 2024
An Improved Metric and Benchmark for Assessing the Performance of Virtual Screening Models
Michael 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 libraries
Konstantin I Popov, James Wellnitz, Travis Maxfield, et al.
Arxiv
|
August 7, 2023
PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular Docking
Michael Brocidiacono, Konstantin I Popov, David Ryan Koes, et al.
Arxiv
|
March 30, 2026
Binding Free Energies without Alchemy
Michael Brocidiacono, Brandon Novy, Rishabh Dey, et al.
Proteins
|
August 29, 2021
Mapping co-regulatory interactions among ligand-binding sites in ryanodine receptor 1
Venkat 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 Binding
David 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 electrostatics
Darex 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 Screening
Michael Brocidiacono, Paul Francoeur, Rishal Aggarwal, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 44) with videos related to
Sort By:
Page
of 5
Langmuir : the ACS Journal of Surfaces and Colloids
|
June 22, 2007
Two mechanisms of spontaneous curvature of strongly adsorbed (2D) double comblike copolymers
Konstantin 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 macromolecules
Igor I Potemkin, Konstantin I Popov
Arxiv
|
April 1, 2024
An Improved Metric and Benchmark for Assessing the Performance of Virtual Screening Models
Michael 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 libraries
Konstantin I Popov, James Wellnitz, Travis Maxfield, et al.
Arxiv
|
August 7, 2023
PLANTAIN: Diffusion-inspired Pose Score Minimization for Fast and Accurate Molecular Docking
Michael Brocidiacono, Konstantin I Popov, David Ryan Koes, et al.
Arxiv
|
March 30, 2026
Binding Free Energies without Alchemy
Michael Brocidiacono, Brandon Novy, Rishabh Dey, et al.
Proteins
|
August 29, 2021
Mapping co-regulatory interactions among ligand-binding sites in ryanodine receptor 1
Venkat 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 Binding
David 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 electrostatics
Darex 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 Screening
Michael Brocidiacono, Paul Francoeur, Rishal Aggarwal, et al.
Page
of 5