Showing 1 - 7 results of 7 for search 'Grace Gupta', query time: 0.03s Refine Results
  1. 1
    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

    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 Stabi... by Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta

    Published 2023-04-01
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  2. 2
    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

    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 E... by Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta

    Published 2023-05-01
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  3. 3
    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

    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 Protei... by Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta

    Published 2023-09-01
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  4. 4
    Landscape-Based Mutational Sensitivity Cartography and Network Community Analysis of the SARS-CoV‑2 Spike Protein Structures: Quantifying Functional Effects of the Circulating D614G Variant

    Landscape-Based Mutational Sensitivity Cartography and Network Community Analysis of the SARS-CoV‑2 Spike Protein Structures: Quantifying Functional Effects of the Circulating D614... by Gennady M. Verkhivker, Steve Agajanian, Deniz Yasar Oztas, Grace Gupta

    Published 2021-06-01
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  5. 5
    Atomistic Simulations and In Silico Mutational Profiling of Protein Stability and Binding in the SARS-CoV‑2 Spike Protein Complexes with Nanobodies: Molecular Determinants of Mutational Escape Mechanisms

    Atomistic Simulations and In Silico Mutational Profiling of Protein Stability and Binding in the SARS-CoV‑2 Spike Protein Complexes with Nanobodies: Molecular Determinants of Mutat... by Gennady M. Verkhivker, Steve Agajanian, Deniz Yasar Oztas, Grace Gupta

    Published 2021-09-01
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  6. 6
    From Deep Mutational Mapping of Allosteric Protein Landscapes to Deep Learning of Allostery and Hidden Allosteric Sites: Zooming in on “Allosteric Intersection” of Biochemical and Big Data Approaches

    From Deep Mutational Mapping of Allosteric Protein Landscapes to Deep Learning of Allostery and Hidden Allosteric Sites: Zooming in on “Allosteric Intersection” of Biochemical and... by Gennady Verkhivker, Mohammed Alshahrani, Grace Gupta, Sian Xiao, Peng Tao

    Published 2023-04-01
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  7. 7
    Comparative Analysis of Conformational Dynamics and Systematic Characterization of Cryptic Pockets in the SARS-CoV-2 Omicron BA.2, BA.2.75 and XBB.1 Spike Complexes with the ACE2 Host Receptor: Confluence of Binding and Structural Plasticity in Mediating Networks of Conserved Allosteric Sites

    Comparative Analysis of Conformational Dynamics and Systematic Characterization of Cryptic Pockets in the SARS-CoV-2 Omicron BA.2, BA.2.75 and XBB.1 Spike Complexes with the ACE2 H... by Mohammed Alshahrani, Grace Gupta, Sian Xiao, Peng Tao, Gennady Verkhivker

    Published 2023-10-01
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