Author details

Full Name

Gregory A Voth

Affiliation

ORCID

Career Start Year

1991

Papers

447

H Index

Expertise

CM4AI Collaborator

PMID	Paper Title	Journal Title	Published Year
37425801	Cracked actin filaments as mechanosensitive receptors.		2023
37942867	Gaussian representation of coarse-grained interactions of liquids: Theory, parametrization, and transferability.		2023
38033234	Coarse-Graining with Equivariant Neural Networks: A Path Toward Accurate and Data-Efficient Models.		2023
37745364	The SARS-CoV-2 nucleoprotein associates with anionic lipid membranes.		2023
37645781	Conformational transitions of the HIV-1 Gag polyprotein upon multimerization and gRNA binding.		2023
38078523	Can a coarse-grained water model capture the key physical features of the hydrophobic effect?		2023
37978800	Conformational transitions of the HIV-1 Gag polyprotein upon multimerization and gRNA binding.		2023
37791670	OpenMSCG: A Software Tool for Bottom-Up Coarse-Graining.		2023
37790356	Cooperative Membrane Binding of HIV-1 Matrix Proteins.		2023
37870140	Understanding dynamics in coarse-grained models. III. Roles of rotational motion and translation-rotation coupling in coarse-grained dynamics.		2023
37957028	-Means Clustering Coarse-Graining (KMC-CG): A Next Generation Methodology for Determining Optimal Coarse-Grained Mappings of Large Biomolecules.		2023
37218128	Dynamics of upstream ESCRT organization at the HIV-1 budding site.	Biophys J	2023
37150040	Structure and function of lipid droplet assembly complexes.	Curr Opin Struct Biol	2023
37084419	Acidic Conditions Impact Hydrophobe Transfer across the Oil-Water Interface in Unusual Ways.		2023
37205601	Unveiling the Catalytic Mechanism of GTP Hydrolysis in Microtubules.		2023
36701801	How Does Electronic Polarizability or Scaled-Charge Affect the Interfacial Properties of Room Temperature Ionic Liquids?		2023
36698313	The role of conformational change and key glutamic acid residues in the ClC-ec1 antiporter.		2023
37318166	Using classifiers to understand coarse-grained models and their fidelity with the underlying all-atom systems.		2023
37385079	Deciphering the dynamic codes: Advances in biomolecular modeling and simulation.		2023
37316513	The structure of phosphatidylinositol remodeling MBOAT7 reveals its catalytic mechanism and enables inhibitor identification.	Nat Commun	2023
36802592	Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models through Virtual Particles.		2023
37439824	Elucidating the Molecular Mechanism of CO Capture by Amino Acid Ionic Liquids.		2023
37308712	Transient water wires mediate selective proton transport in designed channel proteins.	Nat Chem	2023
37115889	Folding Dynamics and Its Intermittency in Turbulence.		2023
36681649	Understanding dynamics in coarse-grained models. I. Universal excess entropy scaling relationship.		2023
36681632	Understanding dynamics in coarse-grained models. II. Coarse-grained diffusion modeled using hard sphere theory.		2023
36608139	Critical mechanistic features of HIV-1 viral capsid assembly.		2023
37364095	Unveiling the catalytic mechanism of GTP hydrolysis in microtubules.		2023
36728761	Statistical Mechanical Design Principles for Coarse-Grained Interactions across Different Conformational Free Energy Surfaces.		2023
35263109	Computational Studies of Lipid Droplets.	Journal of Physical Chemistry B	2022
36106487	Accurate p Calculations in Proteins with Reactive Molecular Dynamics Provide Physical Insight Into the Electrostatic Origins of Their Values.	Journal of Physical Chemistry B	2022
36240267	Activated I-BAR IRSp53 clustering controls the formation of VASP-actin-based membrane protrusions.	Science advances	2022
36103576	Centroid Molecular Dynamics Can Be Greatly Accelerated through Neural Network Learned Centroid Forces Derived from Path Integral Molecular Dynamics.	Journal of Chemical Theory and Computation	2022
35583926	Seipin transmembrane segments critically function in triglyceride nucleation and lipid droplet budding from the membrane.	Elife	2022
36007243	Coarse-Graining of Imaginary Time Feynman Path Integrals: Inclusion of Intramolecular Interactions and Bottom-up Force-Matching.	Journal of Physical Chemistry A	2022
36070494	Bottom-up Coarse-Graining: Principles and Perspectives.	Journal of Chemical Theory and Computation	2022
36202818	Prion-like low complexity regions enable avid virus-host interactions during HIV-1 infection.	Nat Commun	2022
35614850	Proton coupling and the multiscale kinetic mechanism of a peptide transporter.	Biophysical Journal	2022
36264056	Structure of SARS-CoV-2 M protein in lipid nanodiscs.	eLife	2022
35666943	Inositol Hexakisphosphate (IP6) Accelerates Immature HIV-1 Gag Protein Assembly toward Kinetically Trapped Morphologies.	Journal of the American Chemical Society	2022
36459423	Generalized Transition State Theory Treatment of Water-Assisted Proton Transport Processes in Proteins.	Journal of Physical Chemistry B	2022
34990551	Key Factors Governing Initial Stages of Lipid Droplet Formation.	J Phys Chem B	2022
34985907	Multiscale Simulation of an Influenza A M2 Channel Mutant Reveals Key Features of Its Markedly Different Proton Transport Behavior.	J Am Chem Soc	2022
34982562	Using Machine Learning to Greatly Accelerate Path Integral Molecular Dynamics.	Journal of Chemical Theory and Computation	2022
35238630	Strain and rupture of HIV-1 capsids during uncoating.	Proceedings of the National Academy of Sciences of the United States of America	2022
35194049	Cooperative multivalent receptor binding promotes exposure of the SARS-CoV-2 fusion machinery core.	Nature Communications	2022
35151630	Ion permeation, selectivity, and electronic polarization in fluoride channels.	Biophysical Journal	2022
35263110	Static and Dynamic Correlations in Water: Comparison of Classical Ab Initio Molecular Dynamics at Elevated Temperature with Path Integral Simulations at Ambient Temperature.	Journal of Chemical Theory and Computation	2022
34543372	Molecular interactions of theÂ M and E integral membrane proteins of SARS-CoV-2.	Faraday Discussions	2021
34240917	The hopping mechanism of the hydrated excess proton and its contribution to proton diffusion in water.	Journal of Chemical Physics	2021