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R: A Language for Data Analysis and Graphics
Article
Article
R: A Language for Data Analysis and Graphics
Ross Ihaka; Robert Gentleman · Journal of Computational and Graphical Statistics · 1996
Abstract In this article we discuss our experience designing and implementing a statistical computing language. In developing this new language, we sought to combine what we felt were useful features from two existing co...
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Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
Article
Article
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
William L. Jorgensen; David S. Maxwell; Julian Tirado‐Rives · Journal of the American Chemical Society · 1996
The parametrization and testing of the OPLS all-atom force field for organic molecules and peptides are described. Parameters for both torsional and nonbonded energetics have been derived, while the bond stretching and a...
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