Emilio Gallicchio
Professor at The Graduate Center, City University of New York (CUNY)
New York, New York, United States
Summary
👤
Senior🎓
Top SchoolEmilio Gallicchio is a Professor and computational biophysicist with over a decade of experience developing and applying free energy models to study protein–drug and protein–peptide interactions. He leads a lab that integrates theoretical model development with computational implementations to support medicinal chemistry, protein engineering, and biological discovery aimed at viral infections, cancer, and addiction therapeutics. Supported by an NSF CAREER award, he combines academic leadership at Brooklyn College and CUNY doctoral faculty duties with industry-facing roles including Open Science Fellow and scientific consulting for biotech companies. Known for bridging high-performance computing and practical drug discovery workflows, he has a long track record of translating physical chemistry expertise from a Columbia Ph.D. into collaborative, cross-disciplinary projects.
11 years of coding experience
10 years of employment as a software developer
Ph.D., Chemical Physics, Ph.D., Chemical Physics at Columbia University in the City of New York
Github Skills (23)
simulation10
energy10
conda10
forge10
binding10
absolute10
molecular-simulation9
conda-forge9
gpu9
high-performance9
cuda9
eagle8
decoupling8
smithy7
journal7
Programming languages (5)
Github contributions (5)
Gallicchio-Lab/AToM-OpenMM
Dec 2017 - Jan 2023
OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method
Contributions:16 releases, 9 reviews, 175 commits in 5 years 2 months
relativeopenmmabsolutecalculationsenergy-calculations
Gallicchio-Lab/openmm_sdm_workflow
Feb 2019 - Apr 2021
Example of the use of the single-decoupling method setup workflow
Contributions:1 PR, 59 pushes, 1 branch in 2 years 2 months
decouplingmethodworkflow
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