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Paul Robustelli 

Principal Investigator

Assistant 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)

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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


Emanuele Scalone, PhD

Postdoctoral Fellow

B.A. Biotechnology, Univesità degli Studi di Pavia, CA

M.S. Molecular Biotechnology and Bioinformatics, Università degli Studi di Milano, Italy

Ph.D., Molecular and Cellular Biology, Università degli Studi di Milano, Italy

Advisor: Prof. Carlo Camilloni

Thesis title: Molecular modelling of biomolecular self-assembly processes

Emanuele utilizes molecular simulations  to characterize the binding modes of small molecules to disordered proteins and is developing computational approaches to design more potent binders
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Jiaqi Zhu

5th 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 

4th 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

3rd 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.


Michelle Garcia

2nd Year Graduate 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

1st Year Graduate 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


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  

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