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PubPharm (590)
1
Probing Conformational Landscapes and Mechanisms of Allosteric Communication in the Functional States of the ABL Kinase Domain Using Multiscale Simulations and Network-Based Mutational Profiling of Allosteric Residue Potentials
enthalten in:
bioRxiv.org
| 2024
von
Krishnan, K.
|
Tian, H.
|
Tao, P.
| +1
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2
Probing Conformational Landscapes of Binding and Allostery in the SARS-CoV-2 Omicron Variant Complexes Using Microsecond Atomistic Simulations and Perturbation-Based Profiling Approaches: Hidden Role of Omicron Mutations as Modulators of Allosteric Signaling and Epistatic Relationships
enthalten in:
bioRxiv.org
| 2024
von
Verkhivker, G.
|
Alshahrani, M.
|
Gupta, G.
| +2
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3
Markov State Models and Perturbation-Based Approaches Reveal Distinct Dynamic Signatures and Hidden Allosteric Pockets in the Emerging SARS-Cov-2 Spike Omicron Variants Complexes with the Host Receptor: The Interplay of Dynamics and Convergent Evolution Modulates Allostery and Functional Mechanisms
enthalten in:
bioRxiv.org
| 2024
von
Xiao, S.
|
Alshahrani, M.
|
Gupta, G.
| +2
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4
Predicting Functional Conformational Ensembles and Binding Mechanisms of Convergent Evolution for SARS-CoV-2 Spike Omicron Variants Using AlphaFold2 Sequence Scanning Adaptations and Molecular Dynamics Simulations
enthalten in:
bioRxiv.org
| 2024
von
Raisinghani, N.
|
Alshahrani, M.
|
Gupta, G.
| +3
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5
Predicting Functional Conformational Ensembles and Binding Mechanisms of Convergent Evolution for SARS-CoV-2 Spike Omicron Variants Using AlphaFold2 Sequence Scanning Adaptations and Molecular Dynamics Simulations
enthalten in:
bioRxiv : the preprint server for biology
| 2024
von
Raisinghani, N.
|
Alshahrani, M.
|
Gupta, G.
| +3
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6
Manipulation of Convection Using Infrared Light Emitted from Human Hands
enthalten in:
Advanced science (Weinheim, Baden-Wurttemberg, Germany)
| 2024
von
Zhu, H.
|
Luo, Z.
|
Zhang, L.
| +12
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7
Octopus-like Microstructure of Graphene Oxide Generated through Laser-Microdroplet Interaction for Adhesive Coating
enthalten in:
ACS nano
| 2024
von
Cheng, W.
|
Zhang, W.
|
Tao, J.
| +10
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8
β-sheets mediate the conformational change and allosteric signal transmission between the AsLOV2 termini
enthalten in:
Journal of computational chemistry
| 2024
von
Xiao, S.
|
Ibrahim, M.
|
Verkhivker, G.
| +2
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9
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
enthalten in:
Journal of chemical information and modeling
| 2024
von
Raisinghani, N.
|
Alshahrani, M.
|
Gupta, G.
| +3
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10
Phototaxis Flight of Microdroplets in a Laser
enthalten in:
Physical review letters
| 2024
von
Cheng, W.
|
Zhu, H.
|
Zheng, F.
| +9
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