The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 48, doi. 10.1002/jcc.20118
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2005 AND VI 26 AND IP 1
Results: 11
1
2
QMQSAR: Utilization of a semiempirical probe potential in a field-based QSAR method.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 23, doi. 10.1002/jcc.20142
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- Publication type:
- Article
3
Charge distribution in the water molecule-A comparison of methods.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 97, doi. 10.1002/jcc.20157
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- Publication type:
- Article
4
Ab initio quantum mechanical study of the binding energies of human estrogen receptor α with its ligands: An application of fragment molecular orbital method.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 1, doi. 10.1002/jcc.20130
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- Publication type:
- Article
5
Evaluation of library ranking efficacy in virtual screening.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 11, doi. 10.1002/jcc.20141
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- Publication type:
- Article
6
Junmei Wang, Romain M. Wolf, James W. Caldwell, Peter A. Kollman, and David A. Case, "Development and testing of a general amber force field" Journal of Computational Chemistry(2004) 25(9) 1157-1174.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 114, doi. 10.1002/jcc.20145
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- Publication type:
- Article
7
Method and algorithm of obtaining the molecular intrinsic characteristic contours (MICCs) of organic molecules.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 35, doi. 10.1002/jcc.20140
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- Publication type:
- Article
8
Extensive theoretical studies on the low-lying electronic states of indium monochloride cation, InCl<sup>+</sup>.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 106, doi. 10.1002/jcc.20126
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- Publication type:
- Article
9
Parallelization of MRCI based on hole-particle symmetry.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 88, doi. 10.1002/jcc.20148
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- Publication type:
- Article
10
A scalable parallel Monte Carlo method for free energy simulations of molecular systems.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 72, doi. 10.1002/jcc.20143
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- Publication type:
- Article
11
An efficient molecular docking using conformational space annealing.
- Published in:
- Journal of Computational Chemistry, 2005, v. 26, n. 1, p. 78, doi. 10.1002/jcc.20147
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- Publication type:
- Article