Topic: opls Goto Github
Some thing interesting about opls
Some thing interesting about opls
opls,OPLS parameters for perfluoroalkanes in Foyer format. Source: Watkins and Jorgensen, J. Phys. Chem. A, 105, 2001 pp 4118-4125 http://dx.doi.org/10.1021/jp004071w
User: chrisiacovella
opls,A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
User: jewettaij
Home Page: http://www.moltemplate.org
opls,R package that provide interactive graphical interface for metabolic profiling
User: jwist
Home Page: https://jwist.github.io/hastaLaVista
opls,Scansite searches for motifs within proteins that are likely to be phosphorylated by specific protein kinases or bind to domains such as SH2 domains, 14-3-3 domains or PDZ domains.
User: kkrismer
Home Page: https://scansite4.mit.edu
opls,Scansite searches for motifs within proteins that are likely to be phosphorylated by specific protein kinases or bind to domains such as SH2 domains, 14-3-3 domains or PDZ domains.
User: kkrismer
Home Page: https://scansite4.mit.edu
opls,The peleffy (PELE Force Field Yielder) is a Python package that builds PELE-compatible force field templates.
User: martimunicoy
Home Page: https://martimunicoy.github.io/peleffy
opls,Protein Preparation for PELE
User: nostrumbiodiscovery
opls,This repository provides documentation for running the Active Learning workflow for fitting Gaussian Approximation Potentials.
User: pythonpanda2
opls,thesis packaging with R functions used.
User: sdechaumet
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