Anne Brown

About

The Brown Lab is at the forefront of molecular modeling and computational biology, fostering collaborations both on campus at Virginia Tech and with other leading universities. We use our expertise in computational analysis to consult with dozens of research groups, bridging the gap between traditional wet lab techniques and computational methodologies to deepen our understanding of biological systems. We specialize in exploring protein structure-function relationships and advancing computer-aided drug discovery, with a focus on amyloids, kinases, and RNA viruses. We offer rich undergraduate research opportunities through our innovative experiential learning program.

Research topics

• Biology
• Virology
• Biochemistry
• Cell biology
• Cancer research
• Chemistry
• Genetics
• Immunology
• Computational biology
• Pharmacology

Selected publications

• A selective sweep in the Spike gene has driven SARS-CoV-2 human adaptation

  Cell · 2021 · 108 citations

  DOI

• Protein kinases in Toxoplasma gondii

  International Journal for Parasitology · 2021 · 50 citations

  Senior authorCorresponding

  Toxoplasma gondii is an obligatory intracellular pathogen that causes life threatening illness in immunodeficient individuals, miscarriage in pregnant woman, and blindness in newborn children. Similar to any other eukaryotic cell, protein kinases play critical and essential roles in the Toxoplasma life cycle. Accordingly, many studies have focused on identifying and defining the mechanism of function of these signalling proteins with a long-term goal to develop anti-Toxoplasma therapeutics. In t…

  DOI

• Discovery of a Small Side Cavity in Sphingosine Kinase 2 that Enhances Inhibitor Potency and Selectivity

  Journal of Medicinal Chemistry · 2020 · 24 citations

  = 89 nM, 73-fold SphK2-selective) with validated in vivo activity.

  DOI

• Robustness in biomolecular simulations: Addressing challenges in data generation, analysis, and curation

  Cell Reports Physical Science · 2025-05-01 · 5 citations

  articleOpen access1st authorCorresponding

  Computational simulations of biomolecules provide a wealth of information about the thermodynamic landscape of biologically important systems, kinetics of important cellular processes, and the biophysical basis of life. Despite the ubiquity of molecular simulations in biophysical literature, major challenges persist for new practitioners entering the field, and even for experienced computational scientists, in maintaining and distributing their simulation outcomes. Here, we summarize critical ob…

  PublisherDOI

• The role of hydrophobic collapse in cytotoxic and functional amyloid oligomerization

  Biophysical Journal · 2025-08-06 · 2 citations

  articleOpen accessSenior author

  disrupting the C-terminal hydrophobic sequence inhibited hydrophobic β strand formation, reduced aggregation propensity, and increased solvent accessibility, suggesting that retention of a collapsed state is critical for aberrant oligomer formation. This work provides a preliminary view of cytotoxic and functional oligomer morphologies at atomistic resolution, gaining insights into the biophysical aspects of early aggregation events of amyloids.

  PublisherDOI

Frequent coauthors

• John Gonzalez

  Trinity Washington University

  72 shared

• Jonathan Briganti

  Radford University

  45 shared

• Erin Drolet

  Radford University

  38 shared

• David R. Bevan

  Virginia Tech

  38 shared

• Amanda Raimer

  Virginia Tech

  36 shared

• Jeanne Mekolichick

  Concord University

  36 shared

• Brian Taylor

  36 shared

• Jamie K. Lau

  Towson University

  36 shared

Labs

• Brown LabPI

Education

• Ph.D., Biochemistry

  Virginia Polytechnic Institute and State University

  2016

• B.S., Biochemistry, Physics

  Roanoke College

  2010

Similar researchers at Virginia Tech

• Dennis R. Deanh-102
• Richard Helmh-48
• Michael Klembah-29