Gregory A. Voth

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University of Chicago

United States

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Recent Grants

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Physical, computational and biological approaches of filopodia formation mechanism

Open Date: 2016-05-01

Close Date: 2019-04-30

Grant: Close

Multiscale Simulation of Chemically Reactive Materials

Open Date: 2016-03-29

Close Date: 2016-10-01

Grant: Close

Multiscale Simulation of Chemically Reactive Materials

Open Date: 2016-03-29

Close Date: 2016-10-01

Grant: Close

Mesoscale Modeling of Liquids

Open Date: 2016-03-01

Close Date: 2019-03-01

Grant: Close

Frontiers of Coarse-graining

Open Date: 2015-05-01

Close Date: 2019-04-30

Articles (31)

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Collaborators (12)

J. Alfredo Freites

Associate Project Scientist and Lecturer

University of California, Irvine

UNITED STATES

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Zhi Yue

Research Professional

University of Chicago

UNITED STATES

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Alexander Mironenko

Assistant Professor

University of Illinois at Urbana-Champaign

UNITED STATES

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Arpa Hudait

UNITED STATES

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Hugo Filipe

Instituto Politécnico da Guarda

PORTUGAL

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Carlos Geraldes

Full Professor

University of Coimbra

PORTUGAL

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Bohak Yoon

Assistant Professor

Baylor University

UNITED STATES

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Katherine Henzler-Wildman

Associate Professor

University of Wisconsin-Madison

UNITED STATES

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Huong Kratochvil

Assistant Professor

University of North Carolina

UNITED STATES

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Luís M. S. Loura

University of Coimbra

PORTUGAL

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Harold H. Kung

Northwestern University

UNITED STATES

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Yihang Wang

Assistant Professor

Case Western Reserve University

UNITED STATES

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Gregory A. Voth

Research Interests

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Recent Grants

Articles (31)

The C-terminus of the multi-drug efflux pump EmrE prevents proton leak by gating transport

The C-terminus of the multi-drug efflux pump EmrE prevents proton leak by gating transport

Bottom-up Coarse-Grained Models of Asymmetric Membranes

Hydrated Protons at the Water–Air and Water–Oil Interfaces: Structure and Dynamics

Adversarial training for dynamics matching in coarse-grained models

Systematic Embedding of All-Atom Reactive Molecular Dynamics into a Coarse-Grained Environment

From Molecular Dynamics to the Conductivity of Sulfuric Acid: Ultrafast Optical Kerr Effect Experiments and Ab Initio Molecular Dynamics Simulations

Coarse-graining in quantum mechanics: Distinguishable and indistinguishable particles

MSBack: Multiscale Backmapping of Highly Coarse-Grained Proteins Using Constrained Diffusion

A Hybrid Bottom-Up and Data-Driven Machine Learning Approach for Accurate Coarse-Graining of Large Molecular Complexes

On the Key Influence of Amino Acid Ionic Liquid Anions on CO<sub>2</sub> Capture

Quantitative insights into the mechanism of proton conduction and selectivity for the human voltage-gated proton channel Hv1

Molecular Dynamics Simulation of Complex Reactivity with the Rapid Approach for Proton Transport and Other Reactions (RAPTOR) Software Package

QM/CG-MM: Systematic Embedding of Quantum Mechanical Systems in a Coarse-Grained Environment with Accurate Electrostatics

Interaction of MRI Contrast Agent [Gd(DOTA)]− with Lipid Membranes: A Molecular Dynamics Study

Lipid Organization by the Caveolin-1 Complex

Autobiography of Gregory A. Voth

Understanding dynamics in coarse-grained models. IV. Connection of fine-grained and coarse-grained dynamics with the Stokes–Einstein and Stokes–Einstein–Debye relations

Mechanism of phosphate release from actin filaments

Cracked actin filaments as mechanosensitive receptors

Correction to “Computational Studies of Lipid Droplets”

Proton Dissociation and Delocalization under Stepwise Hydration of Zeolite HZSM-5

Elucidating the Molecular Mechanism of CO2 Capture by Amino Acid Ionic Liquids

Utilizing Machine Learning to Greatly Expand the Range and Accuracy of Bottom-Up Coarse-Grained Models through Virtual Particles

Unveiling the catalytic mechanism of GTP hydrolysis in microtubules

Dynamics of upstream ESCRT organization at the HIV-1 budding site

Transient water wires mediate selective proton transport in designed channel proteins

Using classifiers to understand coarse-grained models and their fidelity with the underlying all-atom systems

The structure of phosphatidylinositol remodeling MBOAT7 reveals its catalytic mechanism and enables inhibitor identification

Acidic Conditions Impact Hydrophobe Transfer across the Oil–Water Interface in Unusual Ways

The role of conformational change and key glutamic acid residues in the ClC-ec1 antiporter

Collaborators (12)

J. Alfredo Freites

Zhi Yue

Alexander Mironenko

Arpa Hudait

Hugo Filipe

Carlos Geraldes

Bohak Yoon

Katherine Henzler-Wildman

Huong Kratochvil

Luís M. S. Loura

Harold H. Kung

Yihang Wang

Make your next move.