Integrated Modeling Program, Applied Chemical Theory (IMPACT)
Abstract We provide an overview of the IMPACT molecular mechanics program with an emphasis on recent developments and a description of its current functionality. With respect to...
Publications
2 shownOPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space
We report on the development and validation of the OPLS4 force field. OPLS4 builds upon our previous work with OPLS3e to improve model accuracy on challenging regimes of drug-li...
Frequent Co-Authors
Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 3,022
- Institution
- Schrodinger (United States)
External Links
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.