Developer Software

JAY L. BANKS 973-***-**** ************@*****.***

-Extensive experience in software development, and advanced technical degrees.

-Highly experienced in C, Linux / Unix, Fortran, git, Jira. Some Python, Windows.

-Algorithms including optimization, Monte Carlo, molecular dynamics.

-Mathematical analysis: Fourier transforms, approximation methods, factor analysis.

EMPLOYMENT

Principal Developer, Schrodinger, Inc. 2001-2016

-I was a principal developer of the industry-leading “Glide” software product for drug discovery, whose sales propelled the growth of the company from 55 employees to over 200. I developed the code for the basic multi-stage optimization, as well as the methods for specifying and enforcing constraints on the orientation of drug candidates relative to their target molecules. Much of Glide is academic legacy code in Fortran, but I also wrote code in C, and a little in C++, and driver and auxiliary scripts in Perl and Python. Software development at Schrodinger uses Agile development, Git for version control, ReviewBoard for code reviews, and Jira for issue reporting and resolution.

-I originated an object-oriented Python driver script to run both Glide and a novel treatment of solvent, a combination subsequently incorporated in a new product that will provide order-of-magnitude improvements in drug-discovery simulations. The script initially runs the solvent simulation (Schrodinger’s “WaterMap” product) to determine the distribution of water molecules in the “active site” of the target molecule without any drug candidate present. It then runs Glide for each drug candidate, calculating the energy required to displace water molecules from the active site in addition to the direct interaction energy between the drug candidate and the target. This enables a significant speedup compared to a simulation in which the solvent effects need to be recalculated at every step. And by including every water molecule, it also provides increased accuracy compared to approximate methods of computing solvent effects.

Research Scientist, Rutgers and Columbia Universities 1996-2001

-Led early research into molecular energy functions incorporating polarization. Later versions of these functions are options in Glide and other Schrodinger products. Code primarily in Fortran, also developed an HTML utility for visualizing code and call stacks.

-Began the development of Glide.

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EMPLOYMENT (continued)

Senior Scientist, Molecular Simulations, Inc. 1995-1996

-Developed an innovative algorithm for detecting ring structures in molecules.

-Led the integration of a new molecular energy function into a software package.

OTHER PROFESSIONAL EXPERIENCE

-Software development and consulting for national laboratories, and industries including television production, finance, and biomedical equipment.

-Faculty and research positions at several universities.

EDUCATION

-Cornell University, Ph.D., Theoretical Physics.

-Harvard College, A.B., Physics.

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