Works matching IS 01928651 AND DT 2000 AND VI 21 AND IP 7
Results: 7
Exploring the similarities between potential smoothing and simulated annealing.
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- Journal of Computational Chemistry, 2000, v. 21, n. 7, p. 531, doi. 10.1002/(SICI)1096-987X(200005)21:7<531::AID-JCC3>3.0.CO;2-C
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Predicting helical hairpins from sequences by Monte Carlo simulations.
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- Journal of Computational Chemistry, 2000, v. 21, n. 7, p. 582, doi. 10.1002/(SICI)1096-987X(200005)21:7<582::AID-JCC7>3.0.CO;2-T
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A 'quasi-flexible' automatic docking processing for studying stereoselective recognition mechanisms. Part I. Protocol validation.
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- Journal of Computational Chemistry, 2000, v. 21, n. 7, p. 515, doi. 10.1002/(SICI)1096-987X(200005)21:7<515::AID-JCC2>3.0.CO;2-5
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Improving description of hydrogen bonds at the semiempirical level: water-water interactions as test case.
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- Journal of Computational Chemistry, 2000, v. 21, n. 7, p. 572, doi. 10.1002/(SICI)1096-987X(200005)21:7<572::AID-JCC6>3.0.CO;2-X
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Determination of substitutional sites in heterocycles from the topological analysis of the electron localization function ( ELF).
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- Journal of Computational Chemistry, 2000, v. 21, n. 7, p. 509, doi. 10.1002/(SICI)1096-987X(200005)21:7<509::AID-JCC1>3.0.CO;2-Y
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Performance of the semiempirical PM3 (tm) method in the geometry optimization of transition metal complexes.
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- Journal of Computational Chemistry, 2000, v. 21, n. 7, p. 562, doi. 10.1002/(SICI)1096-987X(200005)21:7<562::AID-JCC5>3.0.CO;2-0
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Computation of internal coordinates, derivatives, and gradient expressions: torsion and improper torsion.
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- Journal of Computational Chemistry, 2000, v. 21, n. 7, p. 553, doi. 10.1002/(SICI)1096-987X(200005)21:7<553::AID-JCC4>3.0.CO;2-1
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