Works matching IS 01928651 AND DT 1998 AND VI 19 AND IP 14
Results: 11
Constraint dynamics algorithm for simulation of semiflexible macromolecules.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1555, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1555::AID-JCC1>3.0.CO;2-I
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First-order relativistic corrections to MP2 energy from standard gradient codes: Comparison with results from density functional theory.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1596, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1596::AID-JCC5>3.0.CO;2-E
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Optimizing efficiency of perturbative Monte Carlo method.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1632, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1632::AID-JCC9>3.0.CO;2-K
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Theoretical description of solvent effects on fluorescence spectra of bulky charge transfer compound DMA-DMPP.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1584, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1584::AID-JCC4>3.0.CO;2-F
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Assessing search strategies for flexible docking.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1623, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1623::AID-JCC8>3.0.CO;2-L
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Molecular quantum similarity measures as an alternative to log P values in QSAR studies.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1575, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1575::AID-JCC3>3.0.CO;2-G
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Assessing energy functions for flexible docking.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1612, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1612::AID-JCC7>3.0.CO;2-M
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Vibrational projection analysis: New tool for quantitatively comparing vibrational normal modes of similar molecules.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1663, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1663::AID-JCC11>3.0.CO;2-H
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Exploring potential energy hypersurfaces for triple symmetric inversion in 3-azabicyclo[3.3.1]nonan-9-one and its N-methyl derivative.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1567, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1567::AID-JCC2>3.0.CO;2-H
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Economical treatments of relativistic effects and electron correlation in WH<sub>6</sub>.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1604, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1604::AID-JCC6>3.0.CO;2-N
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Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function.
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- Journal of Computational Chemistry, 1998, v. 19, n. 14, p. 1639, doi. 10.1002/(SICI)1096-987X(19981115)19:14<1639::AID-JCC10>3.0.CO;2-B
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