Rommie Elizabeth Amaro

University of California, San Diego

United States

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Articles (11)

Year:

2023

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2023

Graphical representation of the partition of the phase-space of the receptor (grey)-ligand (yellow) complex into the MD region (further partitioned into Voronoi cells) and the BD region.

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2023

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2023

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2023

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2023

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2023

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2023

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2023

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2023

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2023

Collaborators (4)

J. Andrew McCammon

University of California, San Diego

UNITED STATES

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John E. Stone

University of Illinois at Urbana-Champaign

UNITED STATES

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Surl-Hee (Shirley) Ahn

Assistant Professor

University of California, Davis

UNITED STATES

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Ana Sofia Fernandes Oliveira

University of Bristol

UNITED KINGDOM

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Rommie Elizabeth Amaro

Research Interests

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Articles (11)

Multiscale computational modeling of the effects of 2’-deoxy-ATP on cardiac muscle calcium handling

#COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol

QMrebind: incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations

A small molecule corrector for p53 mutants found in cancer

APOBEC3A Catalytic Inactivity Mutation Induces Tertiary Structure Destabilization

Brownian dynamics simulations of biomolecular diffusional association processes

DeepWEST: Deep Learning of Kinetic Models with the Weighted Ensemble Simulation Toolkit for Enhanced Sampling

Glycoproteomic landscape and structural dynamics of TIM family immune checkpoints enabled by mucinase SmE

Guidelines for Reporting Molecular Dynamics Simulations in JCIM Publications

Inhibition of PRMT5 by market drugs as a novel cancer therapeutic avenue

QMrebind: Incorporating quantum mechanical force field reparameterization at the ligand binding site for improved drug-target kinetics through milestoning simulations

Collaborators (4)

J. Andrew McCammon

John E. Stone

Surl-Hee (Shirley) Ahn

Ana Sofia Fernandes Oliveira

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