Robustelli Research Group
Paul Robustelli
Principal Investigator
Associate Professor of Chemistry
James O. Freedman Professor in the
Neukom Academic Cluster in Computational Science
Department of Biochemistry and Cell Biology
Dartmouth Cancer Center
Dartmouth College
B.A. Pomona College
Ph.D. University of Cambridge
(Advisor: Prof. Michele Vendruscolo)
NSF Postdoctoral Fellow, Columbia University
(Advisor: Prof. Arthur G. Palmer III)
Korey Reid, PhD
Postdoctoral Fellow
B.A. University of California Davis, Davis, CA
M.S. California State University Fresno, Fresno, CA
Ph.D. in Chemistry, University of Reno, Reno, NV
Advisor: Prof. David Leitner
Thesis title: Dynamics and Energy Exchange of Nonbonded Contacts within Proteins
Korey utilizes molecular simulations and NMR spectroscopy to characterize the binding modes of small molecules to disordered proteins and study the role of solvation dynamics in biomolecular condensates
Korey.M.Reid@dartmouth.edu
Google Scholar
Kaushik Borthakur
PhD Student
B.Sc in Chemistry, Gauhati University, Assam, India
M.Sc in Chemistry, Tezpur University, Tezpur, India
Kaushik is using maximum-entropy methods to integrate biophysical data with molecular simulations
Michelle Garcia
PhD Student
DOE Computational Science Graduate Fellow
B.A. in Chemistry, Pomona College
Michelle is using computer simulations to understand how interactions of small molecules drugs with with disordered proteins can influence protein misfolding and biomolecular condensate formation
Natalie Loui
PhD Student
B.A. in Biochemistry, Brynn Mawyr College
Natalie is using biophysical experiments to characterize the interactions between small molecules drug and disordered proteins and understand how small molecules influence the process of biomolecular condensate formation
Zhihan Zhang
PhD Student
Zhihan is applying docking and AI approaches to design small molecules that bind IDPs
Raphael Marcenac
Postbaccalaureate Research Fellow
B.S. in Biochemistry, Western Washington University
M.S. in Chemistry, Western Washington University
Raphael combines molecular dynamics simulations and Markov state modeling with protein preparation and NMR spectroscopy to study the dynamics of intrinsically disordered proteins. His master’s research investigated the C-terminal linker of Arabidopsis thaliana Villin-4.
Mark Hsia
Undergraduate Researcher
Mark is using molecular simulations to understand the driving forces of biomolecular condensate formation
Former Members
Jiaqi Zhu
PhD Student
B.S. in Chemistry, Zhejiang University, Hangzhou, China
Jiaqi studies the interactions of IDPs with small molecule drugs using molecular simulations.
Thomas Sisk
PhD Student
B.S. in Chemistry, Loyola University Chicago
Thomas uses Markov State Models and machine learning methods to characterize the conformational ensembles and molecular recognition events of disordered proteins.
Emanuele Scalone, PhD
Postdoctoral Fellow
B.A. in Biotechnology, Università degli Studi di Pavia
M.S. in Molecular Biotechnology and Bioinformatics, Università degli Studi di Milano, Italy
Ph.D. in Molecular and Cellular Biology, Università degli Studi di Milano, Italy
Advisor: Prof. Carlo Camilloni
Thesis: Molecular modelling of biomolecular self-assembly processes
Emanuele utilizes molecular simulations to characterize the binding modes of small molecules to disordered proteins and develops computational approaches to design more potent binders.
Jaya Krishna Koneru, PhD
Postdoctoral Fellow
Integrated M.Sc. in Physics, University of Hyderabad, India
Ph.D. in Physics, Tata Institute of Fundamental Research, Hyderabad, India
Advisor: Prof. Jagannath Mondal
Thesis: Understanding bio-molecular recognition of various biological systems.
JK develops molecular simulation methods and applies enhanced sampling methods to study interactions between small molecules and intrinsically disordered proteins.
Aparajita Chakraborty, PhD
Postdoctoral Scholar
B.Tech & M.Tech Dual Degree. KIIT University, School of Biotechnology, Bhubaneswar, Odisha, India
Ph.D. in Biological Sciences , University of Auckland, New Zealand
Advisor: Prof. Jane Allison
Thesis title: Characterising anti-microbial peptide specificity and mechanism using molecular dynamics simulation.
Apara is using molecular simulations and Markov State Models to understand the spatial and temporal coupling of intermolecular interactions between small molecules and intrinsically disordered proteins
Vaishnavi Katragadda
Undergraduate Researcher
Chemistry, Dartmouth 24'
Vaishnavi is experimentally characterizing the conformational ensembles of intrinsically disordered proteins and the interactions between intrinsically disordered proteins and small molecule ligands
Anjali Dhar
Undergraduate Researcher
Chemistry, Dartmouth 24'
Anjali is using ensemble docking calculations to predict binding sites and binding affinities of small molecules to disordered proteins