Search Results - Raisinghani, Nishank

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  1. 1
    AlphaFold2 Modeling and Molecular Dynamics Simulations of the Conformational Ensembles for the SARS-CoV-2 Spike Omicron JN.1, KP.2 and KP.3 Variants: Mutational Profiling of Binding Energetics Reveals Epistatic Drivers of the ACE2 Affinity and Escape Hotspots of Antibody Resistance

    AlphaFold2 Modeling and Molecular Dynamics Simulations of the Conformational Ensembles for the SARS-CoV-2 Spike Omicron JN.1, KP.2 and KP.3 Variants: Mutational Profiling of Bindin... by Raisinghani, Nishank, Alshahrani, Mohammed, Gupta, Grace, Verkhivker, Gennady

    Published in Viruses
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  2. 2
    Predicting Mutation-Induced Allosteric Changes in Structures and Conformational Ensembles of the ABL Kinase Using AlphaFold2 Adaptations with Alanine Sequence Scanning

    Predicting Mutation-Induced Allosteric Changes in Structures and Conformational Ensembles of the ABL Kinase Using AlphaFold2 Adaptations with Alanine Sequence Scanning by Raisinghani, Nishank, Alshahrani, Mohammed, Gupta, Grace, Verkhivker, Gennady

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  3. 3
    AlphaFold2-Based Characterization of Apo and Holo Protein Structures and Conformational Ensembles Using Randomized Alanine Sequence Scanning Adaptation: Capturing Shared Signature Dynamics and Ligand-Induced Conformational Changes

    AlphaFold2-Based Characterization of Apo and Holo Protein Structures and Conformational Ensembles Using Randomized Alanine Sequence Scanning Adaptation: Capturing Shared Signature... by Raisinghani, Nishank, Parikh, Vedant, Foley, Brandon, Verkhivker, Gennady

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  4. 4
    Ensemble-Based Mutational Profiling and Network Analysis of the SARS-CoV-2 Spike Omicron XBB Lineages for Interactions with the ACE2 Receptor and Antibodies: Cooperation of Binding Hotspots in Mediating Epistatic Couplings Underlies Binding Mechanism and Immune Escape

    Ensemble-Based Mutational Profiling and Network Analysis of the SARS-CoV-2 Spike Omicron XBB Lineages for Interactions with the ACE2 Receptor and Antibodies: Cooperation of Binding... by Raisinghani, Nishank, Alshahrani, Mohammed, Gupta, Grace, Verkhivker, Gennady

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  5. 5
    AlphaFold2 Predictions of Conformational Ensembles and Atomistic Simulations of the SARS-CoV‑2 Spike XBB Lineages Reveal Epistatic Couplings between Convergent Mutational Hotspots that Control ACE2 Affinity

    AlphaFold2 Predictions of Conformational Ensembles and Atomistic Simulations of the SARS-CoV‑2 Spike XBB Lineages Reveal Epistatic Couplings between Convergent Mutational Hotspots... by Raisinghani, Nishank, Alshahrani, Mohammed, Gupta, Grace, Xiao, Sian, Tao, Peng, Verkhivker, Gennady

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  6. 6
    Exploring conformational landscapes and binding mechanisms of convergent evolution for the SARS-CoV-2 spike Omicron variant complexes with the ACE2 receptor using AlphaFold2-based structural ensembles and molecular dynamics simulations

    Exploring conformational landscapes and binding mechanisms of convergent evolution for the SARS-CoV-2 spike Omicron variant complexes with the ACE2 receptor using AlphaFold2-based... by Raisinghani, Nishank, Alshahrani, Mohammed, Gupta, Grace, Xiao, Sian, Tao, Peng, Verkhivker, Gennady

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  7. 7
    AlphaFold2-Enabled Atomistic Modeling of Structure, Conformational Ensembles, and Binding Energetics of the SARS-CoV‑2 Omicron BA.2.86 Spike Protein with ACE2 Host Receptor and Antibodies: Compensatory Functional Effects of Binding Hotspots in Modulating Mechanisms of Receptor Binding and Immune Escape

    AlphaFold2-Enabled Atomistic Modeling of Structure, Conformational Ensembles, and Binding Energetics of the SARS-CoV‑2 Omicron BA.2.86 Spike Protein with ACE2 Host Receptor and Ant... by Raisinghani, Nishank, Alshahrani, Mohammed, Gupta, Grace, Xiao, Sian, Tao, Peng, Verkhivker, Gennady

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  8. 8
    Probing Functional Allosteric States and Conformational Ensembles of the Allosteric Protein Kinase States and Mutants: Atomistic Modeling and Comparative Analysis of AlphaFold2, OmegaFold, and AlphaFlow Approaches and Adaptations

    Probing Functional Allosteric States and Conformational Ensembles of the Allosteric Protein Kinase States and Mutants: Atomistic Modeling and Comparative Analysis of AlphaFold2, Om... by Raisinghani, Nishank, Alshahrani, Mohammed, Gupta, Grace, Tian, Hao, Xiao, Sian, Tao, Peng, Verkhivker, Gennady

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  9. 9
    Integration of a Randomized Sequence Scanning Approach in AlphaFold2 and Local Frustration Profiling of Conformational States Enable Interpretable Atomistic Characterization of Conformational Ensembles and Detection of Hidden Allosteric States in the ABL1 Protein Kinase

    Integration of a Randomized Sequence Scanning Approach in AlphaFold2 and Local Frustration Profiling of Conformational States Enable Interpretable Atomistic Characterization of Con... by Raisinghani, Nishank, Alshahrani, Mohammed, Gupta, Grace, Tian, Hao, Xiao, Sian, Tao, Peng, Verkhivker, Gennady M.

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