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:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- 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:
- Publication type:
- Article
Editorial.
- Published in:
- Journal of Computational Chemistry, 1996, v. 17, n. 4, p. 385, doi. 10.1002/jcc.540170402
- By:
- Publication type:
- Article