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Paul Robustelli 

Principal Investigator

Assistant Professor of Chemistry

Neukom Faculty Cluster of 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)

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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
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Aparajita Chakraborty, PhD

Postdoctoral Fellow

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

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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 title: Understanding bio-molecular recognition of various biological systems.

JK is developing molecular simulation methods and applying enhanced sampling methods to study the interactions between small molecules and intrinsically disordered proteins


Jiaqi Zhu

4th Year Graduate Student

B.S. in Chemistry, Zhejiang University, Hangzhou, China

Jiaqi studies the interactions of IDPs with small molecule drugs using molecular simulations.

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Kaushik Borthakur 

3rd Year Graduate 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


Tommy Sisk

2nd Year Graduate Student

B.S in Chemistry, Loyola University Chicago

Tommy is using Markov State Models and machine learning methods to characterize the conformational ensembles and molecular recognition events of 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


Franklin Ruan 

Undergraduate Researcher

Computer Science, Dartmouth 24'

Franklin is applying machine learning methods to characterize the conformational ensembles of intrinsically disordered proteins 

Members : Our Team
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