A Symmetry adapted tessellation of the GEPOL surface: applications to molecular properties in solution.
- Published in:
- Journal of Computational Chemistry, 2001, v. 22, n. 12, p. 1262, doi. 10.1002/jcc.1083
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2001 AND VI 22 AND IP 12
Results: 8
1
2
A hybrid QM/MM method employing real space grids for QM water in the TIP4P water solvents.
- Published in:
- Journal of Computational Chemistry, 2001, v. 22, n. 12, p. 1252, doi. 10.1002/jcc.1082
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- Publication type:
- Article
3
Multicanonical parallel simulations of proteins with continuous potentials.
- Published in:
- Journal of Computational Chemistry, 2001, v. 22, n. 12, p. 1287, doi. 10.1002/jcc.1086
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- Publication type:
- Article
4
Automatic parameterization of force field by systematic search and genetic algorithms.
- Published in:
- Journal of Computational Chemistry, 2001, v. 22, n. 12, p. 1219, doi. 10.1002/jcc.1079
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- Article
5
Parallelization of multireference perturbation calculations with GAMESS.
- Published in:
- Journal of Computational Chemistry, 2001, v. 22, n. 12, p. 1243, doi. 10.1002/jcc.1081
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- Publication type:
- Article
6
First-principles conformational analysis of the C<sub>36</sub>H<sub>36</sub> spheriphane, a prototype hydrocarbon host cage.
- Published in:
- Journal of Computational Chemistry, 2001, v. 22, n. 12, p. 1279, doi. 10.1002/jcc.1085
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- Article
7
New energy terms for reduced protein models implemented in an off-lattice force field.
- Published in:
- Journal of Computational Chemistry, 2001, v. 22, n. 12, p. 1229, doi. 10.1002/jcc.1080
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- Publication type:
- Article
8
MD-based CD calculations for the assignment of the absolute axial configuration of the naphthylisoquinoline alkaloid dioncophylline A.
- Published in:
- Journal of Computational Chemistry, 2001, v. 22, n. 12, p. 1273, doi. 10.1002/jcc.1084
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- Publication type:
- Article