Prof. Timothy W. Johann
Visiting professor
Experimental and Computational Biochemistry; focus on predicting protein-ligand binding energetics.
Email @roanoke.edu: johann
Onufriev LabVirginia Tech
Onufriev Lab
The lab today
Click on a photo for more info
Visiting professor
Experimental and Computational Biochemistry; focus on predicting protein-ligand binding energetics.
Email @roanoke.edu: johann
Graduate Student (Ph.D), GBCB
Computational Approaches to Drug Discovery
Email @vt.edu: fatemeh22
Graduate Student (Ph.D), Computer Science
Physics-guided Deep Learning to help Drug Discovery
Email @vt.edu: luke177
Graduate Student (Ph.D), Physics
Physical Epigenetics, Implcit Solvation models.
Email @vt.edu: kolesnikoves
Graduate Student (Ph.D), Chemical Engineering
Computational Epigenetics of Cancer, Computational Drug Design.
Email @vt.edu: cplate

Undergraduate Student, Computer Science
Machine Learning for Computational Drug Design.
Email @vt.edu: ybernie

Junior, Langley High School, VA
Algorithms for analysis of 3D genome structures
Email @gmail.com: danieljeon65
Lab alumni
Click on a photo for more info, where available

Undergraduate Student, Computer Science. Continued as a Ph.D. student in Computer Science at the University of Illinois Chicago (UIC).
Worked on Signatures of Ageing in Chromatin Structures, Computational Rejuvination of Fruit Flies.
Email @vt.edu: junkaiz

Undergraduate Student, Computer Science. After graduation, got a job in industry.
Computational Drug Design.
Email @vt.edu: alanc
Senior Research Scientist (2009 - 2025).
Worked on multiple projects over the years, including, but not limited to: Conceptual Development of Implicit Solvent Models, Charge Hydration Asymmetry, Condensation of Nucleic Acids, Cmputational Models of Genome Organization.
Email @vt.edu: itolokh
Former graduate Student (MS 2025), Department of Computer Science.
Worked on Computational 3D genome organization
Email @vt.edu: smali
Undergraduate Student, Computer Science
Effect of model parameter variations on key aspects of chromatin organization.
Email @vt.edu: yzhao9426

Undergraduate Student, Computer Engineering. Moved on to pursue PhD in VT Computer Engineering.
Deep Learning to help Drug Discovery
Email @vt.edu: lewisbass
BS, Department of Mathematics. BS, Computer Science. Moved on to pursue Ph.D in the Math department of VT.
Fast Computational Models of Water
Email @vt.edu: dan1345
Former Graduate Student (Ph.D, 2023), Department of Biomedical Engineering and Mechanics
Worked on models of DNA deformation and Chromatin Organization. Continued on as a post-doc at UT Austin.
Email @vt.edu: alexandr
Former Graduate Student (Ph.D, 2021), Department of Biomedical Engineering and Mechanics.
Worked on Fast Computational Models of Water.
After graduation, got a job as a Senior Scientist at Schrödinger Inc., San Diego, CA.
Email @vt.edu: xiongyy
Former Graduate Student (Ph.D, 2020), Department of Computer Science. Now Assosciate Professor at California State University, LA
Email @vt.edu: neginf
Undergraduate Student, Department of Computer Science. Got a job at Amazon.
Email @vt.edu: rajun
Was a Ph.D candidate from 2013 to 2020. In 2020 received an MS.
Undergraduate Student, Department of Biomedical Engineering and Mechanics. Got accepted to VT graduate school.
Email @vt.edu: kyle136
Former Graduate student (Ph.D 2016), GBCB. Became a research assistant professor for Biomedical Sciences, VCOM, VA. Now an assistant professor at Sweet Briar College, VA.
Email @gmail.com: nkinney06
Former Graduate student (Ph.D 2016), Physics. Now a senior staff software engineer at Udemy, Inc.
Email @vt.edu: adrozdet
Former Graduate Student (Ph.D 2016), Department of Engineering Science and Mechanics. Now Director - Research Data Sciences, Gilead Sciences , San Francisco.
Email @vt.edu: izadi
Former Graduate student (Ph.D, 2011), then a post-doc, Department of Computer Science. Now Assistant Professor for Biomedical Sciences, VCOM, VA.
Email @vt.edu: ramu
Former Graduate student (Ph.D, 2015), Department of Physics. After graduation, got a job as a scientist at Zymeworks Inc., Vancouver, Canada. Now director at Reverb Therapeutics.
Email @vt.edu: abmukho
Former Graduate Student (Ph.D, 2014), Department of Computer Science. Then a post-doc at Institute of Systems Biology, Seattle; currently, a Senior Research Scientist at the same institute.
Email @vt.edu: baguilar
Former Graduate student (Ph.D, 2014), Department of Computer Science (VT) and Berkeley Lab
Email @lbl.gov: pchakraborty
Former undergraduate Student, triple major: Physics, Biology and Math. Went to grad school at Harvard.
Email @vt.edu: cbaker
Former Graduate student (Ph.D 2010), Department of Physics. Went on to do a post-doc at U. California, San Diego. Then a scientist at Dart NeuroScience LLC, San Diego.
Email @vt.edu: afenley
Former graduate student (MS 2007), Department of Computer Science. Went on to work for Microsoft in Seattle, worked through the ranks to Senior Lead Software Design Engineer.
Virginia Tech Email: jogordo3@vt.edu
Former graduate student (Ph.D 2007), Graduate program in Genetics, Bioinformatics and Computational Biology. Went on to do a post-doc at UC Berkeley.
Virginia Tech Email: jzmuda@vt.edu
Former graduate student (M.S. Bioinformatics 2007), transferred to University of Georigia to continue on towards a Ph.D.
Virginia Tech Email: jonmyers@vt.edu

Former udergraduate student, Physics + Computer Science (BS 2007, double major). Went to grad school at U. Michigan at Ann Arbor

Former udergraduate student, Mathematics + Computer Science (BS 2008 ). Went to grad school at Michigan State University
Former Graduate Student (M.S. 2009), Department of Computer Science. Stayed at VT to do a Ph.D. in systems.
Email @cs.vt.edu: puran
Former Senior Scientist. Worked on implicit solvent models (2004-2006). Went to Urbana-Champaign to work in industry.
Email @vt.edu: sigalov