Found: 12
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Ligandprotein docking using a quantum stochastic tunneling optimization method.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 858
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- Article
The calculation of the vibrational frequencies of crystalline compounds and its implementation in the CRYSTAL code.
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 888
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- Article
A new hierarchical parallelization scheme: Generalized distributed data interface (GDDI), and an application to the fragment molecular orbital method (FMO).
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 872
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- Article
Hydrogen bonding and solvent effects on the lowest <sup>1</sup>(n, π*) excitations of triazines in water.
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 813
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- Article
Modification of the Wiener index 4.
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 881
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- Article
Continuous medium theory for nonequilibrium solvation: II. Interaction energy between solute charge and reaction field and single-sphere model for spectral shift.
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 835
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- Article
Development and evaluation of a generic evolutionary method for proteinligand docking.
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 843
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- Article
Intramolecular interaction energies in model alanine and glycine tetrapeptides. Evaluation of anisotropy, polarization, and correlation effects. A parallel ab initio HF/MP2, DFT, and polarizable molecular mechanics study.
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 823
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- Article
SPICKER: A clustering approach to identify near-native protein folds.
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 865
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- Article
Car-Parrinello simulations with a real space method.
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 799
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- Article
Performance of SuSi: A method for generating atomistic models of amorphous polymers based on a random search of energy minima.
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- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 790
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- Article
Pattern recognition strategies for molecular surfaces: III. Binding site prediction with a neural network.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 6, p. 779
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- Article