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Artificial Intelligence in Medicine
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October 18, 2008
Computational proteomics analysis of binding mechanisms and molecular signatures of the HIV-1 protease drugs
Gennady Verkhivker
International Journal of Molecular Sciences
|
February 15, 2022
Conformational Flexibility and Local Frustration in the Functional States of the SARS-CoV-2 Spike B.1.1.7 and B.1.351 Variants: Mutation-Induced Allosteric Modulation Mechanism of Functional Dynamics and Protein Stability
Gennady Verkhivker
International Journal of Molecular Sciences
|
March 25, 2022
Structural and Computational Studies of the SARS-CoV-2 Spike Protein Binding Mechanisms with Nanobodies: From Structure and Dynamics to Avidity-Driven Nanobody Engineering
Gennady Verkhivker
International Journal of Molecular Sciences
|
November 7, 2020
Coevolution, Dynamics and Allostery Conspire in Shaping Cooperative Binding and Signal Transmission of the SARS-CoV-2 Spike Protein with Human Angiotensin-Converting Enzyme 2
Gennady Verkhivker
International Journal of Molecular Sciences
|
February 26, 2022
Allosteric Determinants of the SARS-CoV-2 Spike Protein Binding with Nanobodies: Examining Mechanisms of Mutational Escape and Sensitivity of the Omicron Variant
Gennady Verkhivker
International Journal of Molecular Sciences
|
May 11, 2024
Exploring Binding Pockets in the Conformational States of the SARS-CoV-2 Spike Trimers for the Screening of Allosteric Inhibitors Using Molecular Simulations and Ensemble-Based Ligand Docking
Grace Gupta, Gennady Verkhivker
International Journal of Molecular Sciences
|
April 13, 2023
Coarse-Grained Molecular Simulations and Ensemble-Based Mutational Profiling of Protein Stability in the Different Functional Forms of the SARS-CoV-2 Spike Trimers: Balancing Stability and Adaptability in BA.1, BA.2 and BA.2.75 Variants
Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta
Viruses
|
October 28, 2023
Exploring Conformational Landscapes and Cryptic Binding Pockets in Distinct Functional States of the SARS-CoV-2 Omicron BA.1 and BA.2 Trimers: Mutation-Induced Modulation of Protein Dynamics and Network-Guided Prediction of Variant-Specific Allosteric Binding Sites
Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta
Viruses
|
May 27, 2023
Balancing Functional Tradeoffs between Protein Stability and ACE2 Binding in the SARS-CoV-2 Omicron BA.2, BA.2.75 and XBB Lineages: Dynamics-Based Network Models Reveal Epistatic Effects Modulating Compensatory Dynamic and Energetic Changes
Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta
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
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of 8
Search research articles
Search
Showing results (1-10 of 79) with videos related to
Sort By:
Page
of 8
Artificial Intelligence in Medicine
|
October 18, 2008
Computational proteomics analysis of binding mechanisms and molecular signatures of the HIV-1 protease drugs
Gennady Verkhivker
International Journal of Molecular Sciences
|
February 15, 2022
Conformational Flexibility and Local Frustration in the Functional States of the SARS-CoV-2 Spike B.1.1.7 and B.1.351 Variants: Mutation-Induced Allosteric Modulation Mechanism of Functional Dynamics and Protein Stability
Gennady Verkhivker
International Journal of Molecular Sciences
|
March 25, 2022
Structural and Computational Studies of the SARS-CoV-2 Spike Protein Binding Mechanisms with Nanobodies: From Structure and Dynamics to Avidity-Driven Nanobody Engineering
Gennady Verkhivker
International Journal of Molecular Sciences
|
November 7, 2020
Coevolution, Dynamics and Allostery Conspire in Shaping Cooperative Binding and Signal Transmission of the SARS-CoV-2 Spike Protein with Human Angiotensin-Converting Enzyme 2
Gennady Verkhivker
International Journal of Molecular Sciences
|
February 26, 2022
Allosteric Determinants of the SARS-CoV-2 Spike Protein Binding with Nanobodies: Examining Mechanisms of Mutational Escape and Sensitivity of the Omicron Variant
Gennady Verkhivker
International Journal of Molecular Sciences
|
May 11, 2024
Exploring Binding Pockets in the Conformational States of the SARS-CoV-2 Spike Trimers for the Screening of Allosteric Inhibitors Using Molecular Simulations and Ensemble-Based Ligand Docking
Grace Gupta, Gennady Verkhivker
International Journal of Molecular Sciences
|
April 13, 2023
Coarse-Grained Molecular Simulations and Ensemble-Based Mutational Profiling of Protein Stability in the Different Functional Forms of the SARS-CoV-2 Spike Trimers: Balancing Stability and Adaptability in BA.1, BA.2 and BA.2.75 Variants
Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta
Viruses
|
October 28, 2023
Exploring Conformational Landscapes and Cryptic Binding Pockets in Distinct Functional States of the SARS-CoV-2 Omicron BA.1 and BA.2 Trimers: Mutation-Induced Modulation of Protein Dynamics and Network-Guided Prediction of Variant-Specific Allosteric Binding Sites
Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta
Viruses
|
May 27, 2023
Balancing Functional Tradeoffs between Protein Stability and ACE2 Binding in the SARS-CoV-2 Omicron BA.2, BA.2.75 and XBB Lineages: Dynamics-Based Network Models Reveal Epistatic Effects Modulating Compensatory Dynamic and Energetic Changes
Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta
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
Page
of 8