Works matching IS 01928651 AND DT 2000 AND VI 21 AND IP 2
Results: 7
All-atom empirical force field for nucleic acids: I. Parameter optimization based on small molecule and condensed phase macromolecular target data.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 2, p. 86, doi. 10.1002/(SICI)1096-987X(20000130)21:2<86::AID-JCC2>3.0.CO;2-G
- By:
- Publication type:
- Article
A parallel tabu search for conformational energy optimization of oligopeptides.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 2, p. 147, doi. 10.1002/(SICI)1096-987X(20000130)21:2<147::AID-JCC6>3.0.CO;2-6
- By:
- Publication type:
- Article
The molecular modeling toolkit: A new approach to molecular simulations.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 2, p. 79, doi. 10.1002/(SICI)1096-987X(20000130)21:2<79::AID-JCC1>3.0.CO;2-B
- By:
- Publication type:
- Article
Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 2, p. 132, doi. 10.1002/(SICI)1096-987X(20000130)21:2<132::AID-JCC5>3.0.CO;2-P
- By:
- Publication type:
- Article
Collective motion artifacts arising in long-duration molecular dynamics simulations.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 2, p. 121, doi. 10.1002/(SICI)1096-987X(20000130)21:2<121::AID-JCC4>3.0.CO;2-W
- By:
- Publication type:
- Article
All-atom empirical force field for nucleic acids: II. Application to molecular dynamics simulations of DNA and RNA in solution.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 2, p. 105, doi. 10.1002/(SICI)1096-987X(20000130)21:2<105::AID-JCC3>3.0.CO;2-P
- By:
- Publication type:
- Article
SHAKE, rattle, and roll: Efficient constraint algorithms for linked rigid bodies.
- Published in:
- Journal of Computational Chemistry, 2000, v. 21, n. 2, p. 157, doi. 10.1002/(SICI)1096-987X(20000130)21:2<157::AID-JCC7>3.0.CO;2-2
- By:
- Publication type:
- Article