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Biomolecules
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February 27, 2026
From Latent Manifolds to Targeted Molecular Probes: An Interpretable, Kinome-Scale Generative Machine Learning Framework for Family-Based Kinase Ligand Design
Gennady Verkhivker, Ryan Kassab, Keerthi Krishnan
Biorxiv : the Preprint Server for Biology
|
January 16, 2026
From Latent Manifolds to Functional Probes: An Interpretable, Kinome-Scale Generative Machine Learning Framework for Family-Targeted Kinase Inhibitor Design
Ryan Kassab, Keerthi Krishnan, Gennady Verkhivker
International Journal of Molecular Sciences
|
October 14, 2022
Interpretable Machine Learning Models for Molecular Design of Tyrosine Kinase Inhibitors Using Variational Autoencoders and Perturbation-Based Approach of Chemical Space Exploration
Keerthi Krishnan, Ryan Kassab, Steve Agajanian, et al.
International Journal of Molecular Sciences
|
October 14, 2022
Probing Mechanisms of Binding and Allostery in the SARS-CoV-2 Spike Omicron Variant Complexes with the Host Receptor: Revealing Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Communication with Allosteric Pockets
Gennady Verkhivker, Steve Agajanian, Ryan Kassab, et al.
Biomolecules
|
July 27, 2022
Integrating Conformational Dynamics and Perturbation-Based Network Modeling for Mutational Profiling of Binding and Allostery in the SARS-CoV-2 Spike Variant Complexes with Antibodies: Balancing Local and Global Determinants of Mutational Escape Mechanisms
Gennady Verkhivker, Steve Agajanian, Ryan Kassab, et al.
International Journal of Molecular Sciences
|
April 23, 2022
Computer Simulations and Network-Based Profiling of Binding and Allosteric Interactions of SARS-CoV-2 Spike Variant Complexes and the Host Receptor: Dissecting the Mechanistic Effects of the Delta and Omicron Mutations
Gennady Verkhivker, Steve Agajanian, Ryan Kassab, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 15, 2022
Frustration-driven allosteric regulation and signal transmission in the SARS-CoV-2 spike omicron trimer structures: a crosstalk of the omicron mutation sites allosterically regulates tradeoffs of protein stability and conformational adaptability
Gennady M Verkhivker, Steve Agajanian, Ryan Kassab, et al.
Journal of Chemical Information and Modeling
|
April 4, 2022
Landscape-Based Protein Stability Analysis and Network Modeling of Multiple Conformational States of the SARS-CoV-2 Spike D614G Mutant: Conformational Plasticity and Frustration-Induced Allostery as Energetic Drivers of Highly Transmissible Spike Variants
Gennady M Verkhivker, Steve Agajanian, Ryan Kassab, et al.
Pediatric Research
|
November 22, 2023
Artificial intelligence for nailfold capillaroscopy analyses - a proof of concept application in juvenile dermatomyositis
Peyman Hosseinzadeh Kassani, Louis Ehwerhemuepha, Chloe Martin-King, et al.
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Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Biomolecules
|
February 27, 2026
From Latent Manifolds to Targeted Molecular Probes: An Interpretable, Kinome-Scale Generative Machine Learning Framework for Family-Based Kinase Ligand Design
Gennady Verkhivker, Ryan Kassab, Keerthi Krishnan
Biorxiv : the Preprint Server for Biology
|
January 16, 2026
From Latent Manifolds to Functional Probes: An Interpretable, Kinome-Scale Generative Machine Learning Framework for Family-Targeted Kinase Inhibitor Design
Ryan Kassab, Keerthi Krishnan, Gennady Verkhivker
International Journal of Molecular Sciences
|
October 14, 2022
Interpretable Machine Learning Models for Molecular Design of Tyrosine Kinase Inhibitors Using Variational Autoencoders and Perturbation-Based Approach of Chemical Space Exploration
Keerthi Krishnan, Ryan Kassab, Steve Agajanian, et al.
International Journal of Molecular Sciences
|
October 14, 2022
Probing Mechanisms of Binding and Allostery in the SARS-CoV-2 Spike Omicron Variant Complexes with the Host Receptor: Revealing Functional Roles of the Binding Hotspots in Mediating Epistatic Effects and Communication with Allosteric Pockets
Gennady Verkhivker, Steve Agajanian, Ryan Kassab, et al.
Biomolecules
|
July 27, 2022
Integrating Conformational Dynamics and Perturbation-Based Network Modeling for Mutational Profiling of Binding and Allostery in the SARS-CoV-2 Spike Variant Complexes with Antibodies: Balancing Local and Global Determinants of Mutational Escape Mechanisms
Gennady Verkhivker, Steve Agajanian, Ryan Kassab, et al.
International Journal of Molecular Sciences
|
April 23, 2022
Computer Simulations and Network-Based Profiling of Binding and Allosteric Interactions of SARS-CoV-2 Spike Variant Complexes and the Host Receptor: Dissecting the Mechanistic Effects of the Delta and Omicron Mutations
Gennady Verkhivker, Steve Agajanian, Ryan Kassab, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 15, 2022
Frustration-driven allosteric regulation and signal transmission in the SARS-CoV-2 spike omicron trimer structures: a crosstalk of the omicron mutation sites allosterically regulates tradeoffs of protein stability and conformational adaptability
Gennady M Verkhivker, Steve Agajanian, Ryan Kassab, et al.
Journal of Chemical Information and Modeling
|
April 4, 2022
Landscape-Based Protein Stability Analysis and Network Modeling of Multiple Conformational States of the SARS-CoV-2 Spike D614G Mutant: Conformational Plasticity and Frustration-Induced Allostery as Energetic Drivers of Highly Transmissible Spike Variants
Gennady M Verkhivker, Steve Agajanian, Ryan Kassab, et al.
Pediatric Research
|
November 22, 2023
Artificial intelligence for nailfold capillaroscopy analyses - a proof of concept application in juvenile dermatomyositis
Peyman Hosseinzadeh Kassani, Louis Ehwerhemuepha, Chloe Martin-King, et al.
Page
of 1