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The OPLS (Optimized Potentials for Liquid Simulations) force field was developed by Prof. William L. Jorgensen at Purdue University and later at Yale University, and is being further developed commercially by Schrödinger, Inc.
Implementation, Functional form & Parameterization
Explore the main themes, entities and connections around OPLS. Start with the topic map, then use the sections below for research and deeper semantic analysis.
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Use these terms to understand the vocabulary surrounding the topic, not as a checklist for keyword stuffing.
force field jorgensen developed parameters functional atoms 10 optimized simulations later form doi citeseerx displaystyle right mathrm bonds nonbonded ij
| Subject | Predicate | Object | Confidence | Src |
|---|---|---|---|---|
| carbohydrates | instance of | Later publications include parameters for other specific functional groups and types of molecules | 0.80 | text |
| TINKER | instance of | Other packages | 0.80 | text |
| GROMACS | instance of | Other packages | 0.80 | text |
| PCMODEL | instance of | Other packages | 0.80 | text |
| Abalone | instance of | Other packages | 0.80 | text |
| LAMMPS | instance of | Other packages | 0.80 | text |
| Desmond | instance of | Other packages | 0.80 | text |
| NAMD also implement OPLS force fields | instance of | Other packages | 0.80 | text |
| OPLS | related to Functional form | The | 0.60 | section |
| OPLS | related to Functional form | AMBER | 0.60 | section |
| OPLS | related to Implementation | The | 0.60 | section |
| OPLS | related to Implementation | BOSS | 0.60 | section |
These clusters group vocabulary that occurs around closely connected concepts in the source material.
Bridges can reveal useful research angles that are easy to miss in a flat list of related terms.