About Us

Welcome to the Laboratory for Biomolecular Simulation Research!

The LBSR is a new core laboratory at Rutgers dedicated to the development and application of innovative biomolecular simulation tools.  

Our Mission:

We aim to advance the forefront of biomolecular simulation research through creation and application of innovative multiscale simulation methods that leverage advanced cyberinfrastructure and enable discovery.

General Information

Molecular simulations are central to many arenas of interdisciplinary research where multiple experimental and theoretical methods come together to provide insight into complex biological and biomedical problems that drive discovery.  The LBSR has following core objectives:

  • Develop innovative molecular simulation methodologies that advance the field
  • Create powerful software tools that are performance-optimized for advanced cyberinfrastructure
  • Apply molecular simulation methods to solve high impact problems in biology and biomedicine
  • Conduct education and outreach relevant to biomolecular simulation research

The LBSR houses high-level theoretical and software development expertise that is leveraged to build new simulation tools that can be either stand-alone, or integrated into other software suites such as AMBER, CHARMM or OpenMM. Examples of ongoing projects include development of quantum mechanical force fields and combined quantum mechanical/molecular mechanical simulation methods, methods for determination of free energies and other thermodynamic and kinetic properties, enhanced sampling and generalized ensemble simulation methods, continuum and integral equation methods for treatment of generalized solvation, and new methods for integrating experimental data with molecular simulations.  An overarching theme of the LBSR is create software that takes advantage Advanced Cyberinfrastructure (ACI).


For more information about the different positions as well as any open positions, click visit the Careers section of our website

Education and Outreach

The LBSR delivers training and service courses at the graduate and upper-level undergraduate levels as need and resources allow, and may include: fundamentals of computational chemistry, chemical dynamics and statistical thermodynamics, as well as workshops on biomolecular simulation applications and big-data analysis.  Lesson modules for LBSR courses are developed with online content and support, facilitated by partnership with the Rutgers Cyberlearning Innovation and Research Center (CIRC) such that they can be easily deployed as modularly in interdisciplinary programs, and re-purposed for bootcamps, workshops, REU programs, etc.


Contact Us

Please reach us at info@lbsr.rutgers.edu
Mailing Address
Center for Integrative Proteomics Research
174 Frelinghuysen Road
Piscataway, NJ 08854-8076
Fax: 732-445-4320
Software Inquiries
For any questiong and comments about
out software - Please contact us here.