People | Laboratory for Biomolecular Simulation Research

Director

Darrin York

Henry Rutgers University Professor

Prof. Darrin York is a Henry Rutgers University Professor, and distinguished theoretical/computational chemist developing state-of-the-art biomolecular simulation and high-performance computing methods, and is part of the development teams of the AMBER and CHARMM molecular simulation software suites.

Associate Director

David Case

Distinguished Professor

Prof. David Case is a Distinguished Professor in Chemistry & Chemical Biology, highly decorated and internationally recognized as a pioneer in biomolecular simulations, lead developer of the AMBER molecular simulation software suite.

Primary Investigators

Jean Baum

Distinguished Professor

Structural studies of proteins by nuclear magnetic resonance (NMR) techniques.

Ed Castner

Professor

Chemical behaviors of ionic liquids through methods including synchrotron-based X-ray scattering and multi-dimensional NMR experiments.

Shantenu Jha

Associate Professor

Engineering frameworks for implementing parallel data analytics applications and high-performance and distributed computing.

Sagar Khare

Assistant Professor

Design and optimization of enzymes through understanding the biophysical basis and evolutionary implications of enzyme function.

Enver Izgu

Assistant Professor

Applications of synthetic organic chemistry, chemical biology, and materials chemistry to develop next-generation treatments and detection tools against critical human diseases.

Andrew Nieuwkoop

Assistant Professor

Magic angle spinning solid-state NMR of proteins and membranes.

Lu Wang

Assistant Professor

Theoretical and computational tools to elucidate the structure, dynamics and spectroscopy of biological systems.

Jianyuan Zhang

Assistant Professor

Using organic chemistry to control metal ions through a special molecular platform called endohedral metallofullerenes, for biomedical, quantum, and magnetic materials.

Research Faculty