Molecular modeling programs

SPARTAN, A Quantum Mechanical and Molecular Modeling Program Suite, available from Wavefunction, Inc., Irvine, Calif. 

De Esch IJP, Mills JEJ, Perkins TDJ, Romeo G, Hoffmann M, Wieland K, Leurs R, Menge WMPB, Nederkoorn PHJ, Dean PM, Timmerman H. Development of a pharmacophore model for histamine H3 receptor antagonists, using the newly developed molecular modeling program SLATE. J Med Chem 2001 44 1666-1674. 

DISCOVER, a molecular modeling program by Biosym Technologies, Inc., 10065 Barnes Canyon Road, San Diego, CA 92121. 

Challenging Exercises Ken Whitmire of Rice University has compiled the end-of-chapter exercises from our own supply and has added new ones of his own. He has provided exercises that range from the straightforward to the truly challenging. Each chapter includes exercises that are cumulative, involve literature searches, and require the use of a spreadsheet or the molecular modeling program on the CD that accompanies the text. The exercises are designed to ensure that students learn skills that are important for a modern chemist. Each exercise has been solved and checked independently by ourselves and Professor Whitmire, and by Maxine Bishop and Julie Francis at Rice. 

Formulating proposed mechanisms of protein action requires investigating how proteins interact with ligands of all kinds, including other proteins. Molecular modeling programs allow the user to display and manipulate several... 

Insight II molecular modeling program (Biosym MSI, San Diego, CA). 

A molecular modeling program to calculate electron paramagnetic resonance hyper-fine couplings in semiquinone anion radicals was offered [173b]. 

TABLE 14.1. Molecular Modeling Programs of Biochemical Interest... 

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