Atomistic Simulations and Network-Based Energetic Profiling of Binding and Allostery in the SARS-CoV-2 Spike Omicron BA.1, BA.1.1, BA.2 and BA.3 Subvariant Complexes with the Host Receptor: Revealing Hidden Functional Roles of the
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Structural and Molecular Basis of the Catalytic Mechanism of Geranyl Pyrophosphate C6‐Methyltransferase: Creation of an Unprecedented Farnesyl Pyrophosphate C6‐Methyltransferase - Tsutsumi - 2022 - Angewandte Chemie International Edition - Wiley Online ...
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IJMS | Free Full-Text | 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
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Iterative approach to computational enzyme design | PNAS
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Atomistic Simulations and Network-Based Energetic Profiling of Binding and Allostery in the SARS-CoV-2 Spike Omicron BA.1, BA.1.1, BA.2 and BA.3 Subvariant Complexes with the Host Receptor: Revealing Hidden Functional Roles of the
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Structure of the active Gi-coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist | Nature Communications
Integrating Conformational Dynamics and Perturbation-Based 2 Network Modeling for Mutational Profiling of Binding and Allostery
Dynamic Interactions of Fully Glycosylated SARS-CoV-2 Spike Protein with Various Antibodies | Journal of Chemical Theory and Computation
Biomolecules | Free Full-Text | 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
Structural and Molecular Basis of the Catalytic Mechanism of Geranyl Pyrophosphate C6‐Methyltransferase: Creation of an Unprecedented Farnesyl Pyrophosphate C6‐Methyltransferase - Tsutsumi - 2022 - Angewandte Chemie International Edition - Wiley Online ...
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Dynamic Interactions of Fully Glycosylated SARS-CoV-2 Spike Protein with Various Antibodies | Journal of Chemical Theory and Computation