Computational Chemist

Futerman Lab

Department of Biomolecular Sciences

Faculty of Biochemistry

Weizmann Institute of Science

Chemistry
meets code

I’m excited by the intersection of biochemistry and computing. I love to harness information technology to answer chemical questions, especially in a pharmaceutical and medicinal context. My ambition is to build tools to empower drug discovery and design the molecules of the future.

◣ Developed Virtual Screening workflows using Schrodinger Software Suite. Including design of decoy libraries and statistical validation of screening enrichment.

◣ Experience in simulating a wide range of therapeutically-relevant biomolecular systems: bacterial lectins, monoclonal antibodies, chemosensory ion channels and lipid synthases. Molecular simulation in GROMACS, with experience in coarse-grained parameterization (MARTINI).

◣ Experienced in working within a Linux (Ubuntu / RHEL) HPC cluster environment. Python environment management via Anaconda, Data Analysis using Numpy, Pandas, Scipy, Code development using PyCharm and GitHub.

Fields of Interest

Cheminformatics

Binding prediction

Structure-activity relationships

Database curation

Virtual screening

Retrospective evaluation

Compound discovery

Machine learning

Deep learning

Bayesian classification

Activity prediction

Publications

All models are wrong,
some models are useful

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George E. P. Box (1919 - 2013)