The Chodera lab combines expertise in theory, computation, and automated biophysical experiments to transform physics-based simulations into predictive models of drug binding, dynamics, and selectivity.


Photo Credit: Peter Hellberg

John D. Chodera, PhD

email: john.chodera@choderalab.org / tel: 646.737.3319 / twitter: @jchodera
Assistant Member, Computational Biology Program, Sloan Kettering Institute

Assistant Member, Memorial Sloan Kettering Cancer Center
Assistant Professor, Physiology, Biophysics, and Systems Biology Program,
Weill Cornell Graduate School of Medical Sciences
Scientific Advisory Board, Schrödinger

CV | NIH Biosketchgoogle scholar citations ]
 


Current group members


POSTDOCS


 

Sonya Hanson, DPhil

POSTDOCTORAL RESEARCH FELLOW

kinase inhibitor selectivity; simulation and experiments of kinase inhibitors; laboratory automation; biophysical experiments; paper-based microfluidics
email: sonya.hanson@choderalab.org / tel: 646.888.3594
CV | website | science blog | twitter | google scholar citations ]


 

Gregory Ross, DPhil

POSTDOCTORAL RESEARCH FELLOW

email: gregory.ross@choderalab.org / tel: 646.888.3475
CV | websitegoogle scholar citations ]


 

Levi Naden, Ph.D.

POSTDOCTORAL RESEARCH FELLOW // MERCK kgga postdoctoral research fellow

alchemical binding free energies; automated free energy workflow; large-scale chemical space exploration; efficient reweighting techniques; GPU computing
email: levi.naden@choderalab.org / tel: 646.888.3594


GRADUATE STUDENTS


Patrick-Grinaway-head-shot.jpg

 

Patrick Grinaway

Weill Cornell PHYSIOLOGY, BIOPHYSICS, AND Systems BIOLOGY GRADUATE STUDENT
Entry year: 2012

Design of allosteric modulators of Ras; distributed computing research; laboratory automation systems and biophysical experiments
email: patrick.grinaway@choderalab.org / tel: 646.888.3729


Chaya Stern

Tri-I Chemical Biology graduate student
Entry year: 2013 // NSF GRADUATE RESEARCH FELLOW

Probing dynamics of GPCRs through massively parallel simulation and single-molecule experiments
email: chaya.stern@choderalab.org / tel: 646.888.3052


Bas Rusternburg 3

Ariën Sebastiaan (Bas) Rustenburg

Weill CornelL Physiology, Biophysics, and Systems Biology graduate student
Entry year: 2013

Protonation state effects in kinase-small molecule interactions; advanced techniques for isothermal titration calorimetry;
email: bas.rustenburg@choderalab.org / tel: 646.888.3473

[ CV |  Google Scholar Citations ]



 

Mehtap Isik

Tri-I CHEMICAL BIOLOGY GRADUATE STUDENT // Doris J. Hutchison Fellow (2017-2018)
Entry year: 2014


email: mehtap.isik@choderalab.org / tel: 646.888.3729


 

Rafal Wiewiora

Tri-I CHEMICAL BIOLOGY GRADUATE STUDENT // DoD Horizon cancer award recipient
Entry year: 2014


email: rafal.wiewiora@choderalab.org / tel: 646.888.3729


 

Steven Albanese

Gerstner Sloan Kettering Graduate School of Biomedical Sciences
Entry year: 2014

Kinase inhibitor selectivity and multi-target drug design; modeling mTOR hyperactivating mutants; biophysical experiments
email: steven.albanese@choderalab.org / tel: 646.888.3527


 

Andrea Rizzi

Tri-I COMPUTATIONAL BIOLOGY AND MEDICINE GRADUATE STUDENT
Entry year: 2014

Physics of covalent inhibitors-kinase interactions and kinetics; QM/MM simulations; alchemical free energy calculations

email: andrea.rizzi@choderalab.org / tel: 646.888.3475


 

Josh Fass

Tri-I COMPUTATIONAL BIOLOGY AND MEDICINE GRADUATE STUDENT
Entry year: 2014

MSM construction; Optimization of cell-free expression using machine learning
email: josh.fass@choderalab.org / tel: 646.888.3729


FORMER MEMBERS


Julie Behr 3

Julie M. Behr

Tri-I Computational Biology and Medicine graduate student
 


 

Lucelenie Rodríguez-Laureano

LABORATORY TECHNICIAN / LAB MANAGER


photo Credit: Mitya Ku

Daniel L. Parton, DPhil

Postdoctoral research fellow

Investigating dynamical networks in the human kinome using massively distributed MD simulations, Markov state models, and bioinformatics approaches.

[ google scholar citations ]


Kyle A. Beauchamp, PhD

Postdoctoral research fellow

Markov state modeling theory and implementation; quantitative NMR measurements for conformational distributions; Folding@Home distributed computing

google scholar citations ]


Jan-Hendrik Prinz 2.jpg

Jan-Hendrik Prinz, PhD

Postdoctoral research fellow

Markov state model and rate theories; laboratory automation; paper-based microfluidics; transition path and interface sampling
Currently working with Peter Bolhuis, Universitat von Amsterdam, on a DAAD Fellowship

google scholar citations ]


Sarah E. Boyce, PhD

Postdoctoral research fellow

Biophysical measurements of protein-ligand binding, modeling of protein-small molecule interactions
Currently Senior Scientist, Drug Discovery Applications Group at Schrödinger.


Antonia S. J. S. Mey, PhD

Former summer visiting graduate student

Molecular simulations of biomolecules and glasses, statistical mechanics, rare events, Monte Carlo approaches to path sampling and path reweighting
Currently postdoctoral researcher with Frank Noé at the Freie Universität Berlin

website ]


Rosa Luirink, MSc

FORMER SUMMER VISITING GRADUATE STUDENT


Currently PhD candidate at Vrije Universiteit Amsterdam


Guillermo Pérez Hernández, PhD

FORMER SUMMER VISITING postdoctoral research fellow


Currently postdoctoral researcher with Frank Noé at the Freie Universität Berlin


ADMINISTRATIVE RESEARCH ASSISTANT


Ashleigh Fowlkes

email: fowlkesa@mskcc.org  / tel: 646.888.3459