Principal Investigator


Ioan Andricioaei


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Graduate Students


Moises Romero

(Joint with Dr. Jin Yu)

Research Interest: Elastic network models of contractile tails. MD Simulations of biological systems. Development of enhanced sampling methods.



Dhiman Ray

Research Interest: Enhanced sampling method development, Simulation of nucleic acids.

Integrated BS-MS, Indian Institute of Science Education and Research, Kolkata, India (2018)


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Personal Website



Trevor Gokey

(Joint with Prof. David Mobley)

Research Interest: TBD.



Praveen Ranganath Prabhakar

Research Interest: TBD.


Undergraduate Student

Sharon Emily Stone

BS: University of California Irvine (2021) (Chemistry)

Research Interest: Hoogsteen Base-Pairing in DNA

Riley Nicolas Quijano

BS: University of California Irvine (2022) (Chemistry)

Research Interest: Simulation of SARS-CoV-2 proteins

Rodrigo Andre Lozano

BS: University of California Irvine (2023) (Chemistry)

Research Interest: Protein-Ligand simulations

Group Alumni

Name Position in Group Current Affiliation
Ly Le Research Scientist (2020-2021) Drug Discovery Scientist, Cyclica
Anupam Chatterjee PhD (2014-2019) -
James McSally PhD (2014-2019) Senior Scientist at Redesign Science
Gianmarc Grazioli PhD (2011-2016) Assistant Professor of Chemistry, San Jose State University
Emel Ficici PhD (2010-2015) Research Scientist at Pfizer
Jason Deckman Post Doc (2011-2014) Sr. Engineer I, Software at Human Longevity, Inc
Gavin Bascom PhD (2010-2014) Methodology Scientist at Redesign Science
Ahmet Mentes PhD (2009-2013) Computational Biophysicist at Black Diamond Therapeutics
Maryna Taranova PhD (2009-2014) Principal Data Scientist/ Group Leader in Bioinformatics at Roche Sequencing Solution
Nicholas K Preketes PhD (2008-2013)
Joint with Shaul Mukamel
Director, Commercial Strategy & Analytics, Amgen
Mahua Roy PhD (2008-2014) Senior Scientist at Pfizer
Prasanth P Jose Post Doc (2008-2010) Assistant Professor of Physics, Indian Institute of Technology, Mandi, India
Eunae Kim Post Doc (2008-2010) Assistant Professor of Pharmacy, Chosun University, South Korea
Aaron T. Frank PhD (2006-2011) Assistant Professor of Chemistry, University of Michigan, Ann Arbor
Levent Sari Post-Doc (2006-2008) Senior Research Scientist, University of Texas, Southwestern Medical Center
K. Maria Mills PhD (2005-2010)
Joint with Mark M. Banaszak Holl
Assistant Professor of Physics, University of Missouri, Columbia
Jeff Wereszczynski PhD (2004-2008) Associate Professor of Physics, Illinois Institute of Technology, Chicago
Catherine Musselman PhD (2004-2007)
Joint with Hashim M. Al-Hashimi
Associate Professor of Biochemistry, University of Colorado, Anschutz Medical Campus