Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

BIOSYM

Koilman /Weiner/Singh/Peariman Karplus/Brooks /MSI Hagler/BIOSYM van Gunsteren AUinger/Welsh J o rgens en/Tirado-Rive s... [Pg.165]

The preeminent offerings in this crowded market include MacroModel (Columbia University, New York), Insight (Biosym Technologies,... [Pg.92]

Dr. V. Milman BIOSYM/MSI 240/250 The Quorum Barnwell Road Cambridge, CB5 8RE United Kingdom... [Pg.502]

R=phenyl) within the zeolite framework. The Biosym docking package " was used to generate a random set of ten energetically favourable configurations... [Pg.215]

We are indebted to the SERC Catalysis and Interfaces Initiative and ICI Katalco for financial support. Computational results were obtained using software programs from Biosym Technologies of San Diego. [Pg.218]

Catalysis Users Guide, release 236, Biosym Technologies, San Diego (1994). [Pg.219]

DISCOVER, a molecular modeling program by Biosym Technologies, Inc., 10065 Barnes Canyon Road, San Diego, CA 92121. [Pg.359]

There are many computational chemistry software packages available that enable students to make and study the properties of molecules, by quantum mechanics and molecular mechanics methods. These include Gaussian, HyperChem, Spartan, and Biosym. The first four homework problems assume that the student has one of... [Pg.148]

Table 2 shows the full NOESY spectral matrix of cyclo(Pro-Gly), - (im = 80 ms) A(0) , recorded at T = 233 K. All cross peaks are integrated from the 2D experiment using Felix (Biosym), and overlapping peaks of Pro and Pro were separated after integration into two components in the proportion obtained from the 3D HMQC-NOESY... [Pg.294]

The preliminary modeled structures of the synthetic inhibitors described in this review were constructed and energy minimized by the author using HyperChem (1995, Hypercube, Inc., Release 4.5). Docking of these inhibitors to the active site of Factor Xa was accomplished by the author using the x-ray coordinates of native Factor Xa [4] and INSIGHT II (Biosym Technologies, Inc.) and the approach outlined in Section 6. [Pg.293]

We thank J. Apostolakis and Professor A. Pluckthun for helpful discussions. The calculations were performed on an SGI Indigo2 and an eight-processor SGI Challenge (R4400 processors). The CHARMM program within the version 4.0 of the QUANTA software package (Biosym-MSI Inc) was used for some of the minimization performed in this work. The CCLD program is available from A. Caflisch. [Pg.556]

Typical force fields such as the Tripos force field available in Sybyl or CVFF 24 available in Biosym contain torsional terms tliat have the form ... [Pg.175]

Discover User Guide, Version 94.0, San Diego Biosym Technologies (1994). [Pg.189]

Cover Photo Professor John M. Newsam, BIOSYM Technologies, Inc. [Pg.3]

Insight II molecular modeling program (Biosym MSI, San Diego, CA). [Pg.492]

J. W. D. Connolly, in Modem Theoretical Chemistry, Vol. 7, Ed. G.A. Segal, Plenum, New York, 1977, p. 105. DeMon User Guide, Version 1.0 beta, Biosym Technologies, San Diego, 1992.. [Pg.123]

See other pages where BIOSYM is mentioned: [Pg.353]    [Pg.165]    [Pg.169]    [Pg.325]    [Pg.318]    [Pg.30]    [Pg.212]    [Pg.218]    [Pg.242]    [Pg.122]    [Pg.199]    [Pg.311]    [Pg.201]    [Pg.203]    [Pg.107]    [Pg.3]    [Pg.546]    [Pg.573]    [Pg.1336]    [Pg.165]    [Pg.169]    [Pg.325]    [Pg.201]    [Pg.225]    [Pg.351]    [Pg.366]    [Pg.366]    [Pg.368]    [Pg.128]    [Pg.314]    [Pg.196]    [Pg.600]   
See also in sourсe #XX -- [ Pg.30 ]

See also in sourсe #XX -- [ Pg.298 , Pg.326 , Pg.328 , Pg.333 , Pg.341 , Pg.342 , Pg.344 , Pg.349 , Pg.386 , Pg.411 ]

See also in sourсe #XX -- [ Pg.321 , Pg.384 ]

See also in sourсe #XX -- [ Pg.428 ]



SEARCH



BIOSYM Technologies, Inc

Biosym Technologies

© 2024 chempedia.info