Welcome to the

Brown Lab

Overview

The Brown Lab at Virginia Tech is an interdisciplinary research group specializing in computational biochemistry, molecular modeling, and AI-enabled computer-aided drug discovery. We develop and apply computational methods, MD simulations, and machine learning approaches to investigate protein structure–function relationships, conformational dynamics, protein aggregation, and molecular interactions. Our research focuses on understanding the mechanisms governing amyloid assembly, protein–membrane interactions, and the influence of complex biological environments on protein behavior, with applications in neurodegenerative and metabolic diseases. We also advance structure-based drug discovery through the development of predictive methods for identifying and optimizing small molecules and peptides, with particular emphasis on antiviral drug discovery, antimicrobial resistance, kinases, and challenging protein–protein interactions.

Collaboration is central to our research. We work with experimental scientists at Virginia Tech and institutions worldwide, integrating computational approaches with experimental studies to address complex biological questions at the atomistic level.

Beyond Research

Our commitment to undergraduate research and scientific education extends beyond the lab. We lead Virginia Tech's Discovery Lab, an interdisciplinary undergraduate research environment built around our published pedagogical framework for integrating authentic research experiences, peer mentorship, and experiential learning into undergraduate education. Through this model, we expand access to meaningful research opportunities while developing students' scientific independence, computational skills, and research competencies. Our broader educational efforts advance data science education, open and reproducible science, interdisciplinary training, and STEM workforce development, preparing the next generation of scientists to work across traditional disciplinary boundaries.

For research collaborations or inquiries, please contact Dr. Anne M. Brown via the Contact page.

Below are a few specific examples of activities we are taking that go beyond the typical picture of a research lab.

  • Discovery Lab at Virginia Tech has over 6,000 square feet of space for research, prototyping, and experimentation. Each space contains state-of-the-art instruments and equipment essential for transforming conceptional ideas into tangible data-backed results. We seek to

    • Engage students in all phases of the research lifecycle and provide students opportunities to build their technical, analytical, and durable skills.

    • Forge partnerships with industry, that allow students to tackle real-world problems and gain career-ready skills.

  • Every novel methodology, workshop, script, and dataset is made freely available, to anyone, at the time of publication. GitHub, OSF, and Zotero are regularly used to capture and share our workflows. Furthermore, we regularly partner with groups across the country to facilitate workshops related to data science principles, computational biochemistry, and scientific excellence.

  • Beyond having students reach specific coursework milestones, we believe it is essential to be training and championing workforce skill development in all aspects of student education. This includes technical skills but also durable ones (teamwork, problem-solving, leadership). We have created, and regularly update, training workshops, short courses, and lessons that are built at the high school and undergraduate level. This is showcased in our EMMI international summer course, a two week intensive where students carry out a facilitated molecular docking research project.

Want to see even more? Check out our YouTube channel!