Robustelli Research Group
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)
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
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
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
Google Scholar
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.
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