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Conic: A fast renderer for spacefilling molecules with shadows

✍ Scribed by Conrad C. Huang; Eric F. Pettersen; Teri E. Klein; Thomas E. Ferrin; Robert Langridge


Book ID
103637815
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
855 KB
Volume
9
Category
Article
ISSN
0263-7855

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A fast empirical GAFF compatible partial
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## Abstract We report here a new and fast approach [Transferable Partial Atomic Charge Model (TPACM4)β€”upto four bonds] for deriving the partial atomic charges of small molecules for use in protein/DNA‐ligand docking and scoring. We have created a look‐up table of 5302 atom types to cover the chemic