Works matching IS 01928651 AND DT 1996 AND VI 17 AND IP 4

Results: 10

Optimization of the Lennard-Jones parameters for a combined ab initio quantum mechanical and molecular mechanical potential using the 3-21G basis set.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 386, doi. 10.1002/(SICI)1096-987X(199603)17:4<386::AID-JCC1>3.0.CO;2-Q

By:

Freindorf, Marek;
Gao, Jiali

Publication type:

Article

A comparison of conformational energies calculated by several molecular mechanics methods.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 429, doi. 10.1002/(SICI)1096-987X(199603)17:4<429::AID-JCC5>3.0.CO;2-W

By:

Gundertofte, Klaus;
Liljefors, Tommy;
Norrby, Per-ola;
Pettersson, Ingrid

Publication type:

Article

Masthead.

Published in:: Journal of Computational Chemistry, 1996, v. 17, n. 4, p. fmi, doi. 10.1002/jcc.540170401
Publication type:: Article

Peptide docking using dynamic programming.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 418, doi. 10.1002/(SICI)1096-987X(199603)17:4<418::AID-JCC4>3.0.CO;2-X

By:

Gulukota, Kamalakar;
Vajda, Sandor;
Delisi, Charles

Publication type:

Article

New implementation of and the modeling by the extended simulated annealing process to structures of T4 lysozyme mutants at the 86th residue.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 476, doi. 10.1002/(SICI)1096-987X(199603)17:4<476::AID-JCC8>3.0.CO;2-R

By:

Endo, Shigeru;
Higo, Junichi;
Nagayama, Kuniaki;
Wako, Hiroshi

Publication type:

Article

Determination of the stereochemistry of natural products from nuclear magnetic resonance data by constrained molecular dynamics.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 409, doi. 10.1002/(SICI)1096-987X(199603)17:4<409::AID-JCC3>3.0.CO;2-Y

By:

Falk, Michael;
Spierenburg, Peter F.;
Walter, John A.

Publication type:

Article

Molecular dynamics for proteins: Performance evaluation on massively parallel computers based on mesh networks using a space decomposition approach.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 469, doi. 10.1002/(SICI)1096-987X(199603)17:4<469::AID-JCC7>3.0.CO;2-S

By:

Ballestrero, P.;
Baglietto, P.;
Ruggiero, C.

Publication type:

Article

Molecular mechanics calculations of conjugated amides and an ab initio investigation of acrylamide and its β-amino derivative: Conformational analysis and rotational barriers.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 396, doi. 10.1002/(SICI)1096-987X(199603)17:4<396::AID-JCC2>3.0.CO;2-P

By:

Berg, Ulf;
Bladh, Nina

Publication type:

Article

Force field parameters for carbohydrates.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 450, doi. 10.1002/(SICI)1096-987X(199603)17:4<450::AID-JCC6>3.0.CO;2-T

By:

Reiling, Stephan;
Schlenkrich, Michael;
Brickmann, Jürgen

Publication type:

Article

Editorial.

Published in:

Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 385, doi. 10.1002/jcc.540170402

By:

Allinger, Norman L.;
von R. Schleyer, Paul

Publication type:

Article