Schrödinger, a technology leader specializing in software solutions for life science and materials science research and development, is seeking a highly motivated, critically thinking scientist with a background in computational pKa prediction. The focus of the current job will be development and validation of software to predict pKa on the basis of density functional theory. In particular, the successful candidate will be responsible for improvement of Schrödinger's pKa prediction program Jaguar pKa. The methods and solutions developed by the successful candidate will be for pKa prediction of small and medium-sized drug-like molecules. Because such molecules often possess multiple protonation sites with the possibility for numerous protonation forms at different values of pH, development of practially feasible computational solutions to address complex protonation equilibria across a wide variety of chemical structures will be very important. The role of empirical methods and parameterizations as a supporting element in pursuit of the main goals is expected to be substantial.
The candidate must possess a strong knowledge of protonation/deprotonation processes in acqueous solutions, tautomeric equilibria and chemical equilibria in general. Experience in one or more of the following areas: non-acqueous equlibria, equilibria between phases, prediction of logP and logD, implicit solvation models, quantum chemistry, medicinal chemistry, analytical chemistry is a strong plus. A large portion of the job responsibilities will deal with writing computer code in languages Python and C++ in close collaboration with a team of scientists and scientific code developers.
- PhD in Chemistry
- Excellent communication skills
- Wide experience with pKa calculations
- Strong knowledge of organic chemistry
- Strong knowledge of Python and knowledge of C++
- Superior work ethics, organizational skills and discipline
- Knowledge of quantum chemistry and density functional theory
Pay and perks:
Schrödinger understands that it’s people that make a company great. Because of this, we’re prepared to offer a competitive salary, stock options, and a wide range of benefits that include healthcare (with dental and vision), a 401k, pre-tax commuter benefits, a flexible work schedule, and a parental leave program. Our company culture is relaxed but engaged, and we have four weeks of paid vacation time. Our Administrative and Human Resources departments also plan a myriad of fun company-wide events - last summer we went tubing down the Delaware River! New York is home to our largest office, but we have teams all over the world.
Sound exciting? Apply today and join us!
As an equal opportunity employer, Schrödinger hires outstanding individuals into every position in the company. People who work with us have a high degree of engagement, a commitment to working effectively in teams, and a passion for the company's mission. We place the highest value on creating a safe environment where our employees can grow and contribute, and refuse to discriminate on the basis of race, color, religious belief, sex, age, national origin, citizenship status, marital status, union status, sexual orientation, or gender identity. To us, "diversity" isn't just a buzzword, but an important element of our core principles and key business practices. We believe that diverse companies innovate better and think more creatively than homogenous ones because they take into account a wide range of viewpoints. For us, greater diversity doesn't mean better headlines or public images - it means increased adaptability and profitability.