CHBC Faculty Publications

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Author: Kumar, Vivek Govind

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TitlePublication NamePub. TypeYear
Structural effects of ALS-associated mutations on profilingBiophysical JournalAbstract2023
cpSRP43 Is Both Highly Flexible and Stable: Structural Insights Using a Combined Experimental and Computational ApproachJournal of Chemical Information and ModelingJournal Article2023
Binding affinity estimation from restrained umbrella sampling simulationsNature Computational ScienceJournal Article2023
Prefusion spike protein conformational changes are slower in SARS-CoV-2 than in SARS-CoV-1Journal of Biological ChemistryJournal Article2022
Physics-based computational framework for absolute binding affinity estimationAbstracts of Papers of the American Chemical SocietyAbstract2022
Characterizing the roles of chemo-mechanical couplings in the differential behavior of SARS-CoV-1 and SARS-CoV-2 spike glycoproteinBiophysical JournalAbstract2022
Molecular dynamics investigation of the ph-dependent influenza hemagglutinin conformational changeBiophysical JournalAbstract2022
Differential Dynamic Behavior of Prefusion Spike Glycoproteins of Sars Coronaviruses 1 and 2Biophysical JournalAbstract2021
Integrating Molecular Dynamics and smFRET Data to Study the Conformational Ensemble of the C-Terminus of Albino3 ProteinBiophysical JournalAbstract2021
An Investigation of the Conformational Dynamics of ABC Exporter PCAT1 using Microsecond-Level MD SimulationsBiophysical JournalAbstract2021
Comparing the Dynamic Differences between X-ray and Cryo-EM Structures of Cannabinoid Receptor 1 using Molecular Dynamics SimulationsBiophysical JournalAbstract2021
Molecular Dynamics Investigation of the Influenza Hemagglutinin Conformational ChangesBiophysical JournalAbstract2021
An Investigation of the Disulfide Bridge Formation of a Thylakoid Protease using Nanosecond-Level MD SimulationsBiophysical JournalAbstract2021
Differential thermodynamics and kinetics of prefusion spike proteins of SARS-CoV-1 and 2.Abstracts of Papers of the American Chemical SocietyAbstract2021
Transient local secondary structure in the intrinsically disordered C-term of the Albino3 insertaseBiophysical JournalJournal Article2021
Conformational free energy landscape of prefusion spike protein in SARS-CoV-1 and 2.Abstracts of Papers of the American Chemical SocietyAbstract2021
Mechanistic Picture for Monomeric Human Fibroblast Growth Factor 1 Stabilization by Heparin BindingJournal of Physical Chemistry BJournal Article2021
Structural Propensity in the C-terminal domain of the Albino3 translocase in thylakoidsProtein ScienceAbstract2021
Characterization of the structural forces governing the reversibility of the thermal unfolding of the human acidic fibroblast growth factorScientific ReportsJournal Article2021
Differential dynamic behavior of prefusion spike proteins of SARS coronaviruses 1 and 2bioRxivJournal Article2020
Structural Propensity in the C-terminal Domain of the ALbino3 Translocase in ThylakoidsFASEB JournalAbstract2020
An Investigation of the Influenza Hemagglutinin Membrane Fusion Process using Microsecond-Level MD SimulationsBiophysical JournalAbstract2020
Effect of Cholesterol on the Structural Dynamics of Metabotropic Glutamate Receptor (mGluR(1)): A Molecular Dynamics StudyBiophysical JournalAbstract2020
Mechanistic Study of a Peptidase Containing ABC-Transporter, Employing Microsecond Level Molecular Dynamics Simulations and Enhanced Sampling TechniquesBiophysical JournalAbstract2019
A Comprehensive Investigation of the Stabilization of Monomeric Hfgf1 by Heparin Hexasaccharide using Microsecond-Level MD Simulations and Enhanced Sampling TechniquesBiophysical JournalAbstract2019
The Role of a Crystallographically Unresolved Cytoplasmic Loop in Stabilizing the Bacterial Membrane Insertase YidC2Scientific ReportsJournal Article2019
An Effective Electric Dipole Model for Voltage-induced Gating Mechanism of LyseninScientific ReportsJournal Article2019
ALS-causing mutations in profilin-1 alter its conformational dynamics: A computational approach to explain propensity for aggregationScientific ReportsJournal Article2018
Using Molecular Dynamics Simulations to Compare the Stability of Lysenin Structures Obtained through X-ray Crystallography and Single-Particle Cryo-Electron MicroscopyBiophysical JournalAbstract2018