Alice Walker

Assistant Professor

Wayne State University

United States

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Dr. Alice Walker is an Assistant Professor at Wayne State University in the United States. Her research focuses on biomolecular systems, molecular dynamics, and the design of nucleic acid monomers, with recent studies exploring fluorescence dynamics and electron transport mechanisms. She is actively involved in developing automated tools for simulations and investigating the structural design of biomolecular analogs.

Articles (16)

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2025

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2025

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2025

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2024

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2023

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2023

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2023

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2022

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2021

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2021

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2020

Collaborators (4)

Steven G. Boxer

Stanford University

UNITED STATES

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Hien M. Nguyen

Associate Professor

Iowa State University

UNITED STATES

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Vishaka Pathiranage

Graduate Research and Teaching Assistant

Wayne State University

UNITED STATES

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Elisa Pieri

Assistant Professor

University of North Carolina at Chapel Hill

UNITED STATES

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Alice Walker

Research Interests

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About

Articles (16)

Adaptive Restraints to Accelerate Geometry Optimizations of Large Biomolecular Systems

DNA hairpin base-flipping dynamics drives APOBEC3A recognition and selectivity

Strategic Design of Fluorescent Perylene-Modified Nucleic Acid Monomers: Position-, Phosphorylation-, and Linker-Dependent Control of Electron Transfer

Conical Intersection Accessibility Dictates Brightness in Red Fluorescent Proteins

Influence of Peripheral and Ancillary Changes on the Electron Transport of HS3d5 FeIII Metallosurfactants – Substituents, Chain Length, Subphase Polarity, and Junction Electrodes

Genetically encoded green fluorescent sensor for probing sulfate transport activity of solute carrier family 26 member a2 (Slc26a2) protein

Rational Design and Expedient Synthesis of Heparan Sulfate Mimetics from Natural Aminoglycosides for Structure and Activity Relationship Studies.

Exploring the effects of mutagenesis on FusionRed using excited state QM/MM dynamics and classical force field simulations.

Simulation-guided engineering of split GFPs with efficient β-strand photodissociation

Dimer Interface Destabilization of Photodissociative Dronpa Driven by Asymmetric Monomer Dynamics

AutoParams: An Automated Web-Based Tool To Generate Force Field Parameters for Molecular Dynamics Simulations

Studies on Monolayer Formation and Electron Transport in Au|LB|Au Junctions Containing 3d<sup>4</sup> Mn<sup>III</sup> Metallosurfactants

Computational investigations of the excited state dynamics and quenching mechanisms of polycyclic aromatic hydrocarbon DNA adducts in solution

Proton Transfer from a Photoacid to a Water Wire: First Principles Simulations and Fast Fluorescence Spectroscopy.

Computational investigations of selected enzymes from two iron and α-ketoglutarate-dependent families

Proton Transfer Dynamics in the Aprotic Proton Accepting Solvent 1-Methylimidazole

Collaborators (4)

Steven G. Boxer

Hien M. Nguyen

Vishaka Pathiranage

Elisa Pieri

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