A kinematic view of loop closure.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 510
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 2004 AND VI 25 AND IP 4
Results: 13
1
2
A computational study of the role of hydrogen bonds in S<sub>N</sub>1 and E1 reactions.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 598
- By:
- Publication type:
- Article
3
An AM1 semiempirical study of hostguest complexation in hemicarcerand complexes.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 542
- By:
- Publication type:
- Article
4
Direct ab initio dynamics studies on the hydrogen-abstraction reactions of OH radicals with HOX (X = F, Cl, and Br).
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 558
- By:
- Publication type:
- Article
5
Partial rigid-body dynamics in NPT, NPAT and NPγT ensembles for proteins and membranes.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 529
- By:
- Publication type:
- Article
6
Conformational search of peptides and proteins: Monte Carlo minimization with an adaptive bias method applied to the heptapeptide deltorphin.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 565
- By:
- Publication type:
- Article
7
A hydration study of (1→4) and (1→6) linked α-glucans by comparative 10 ns molecular dynamics simulations and 500-MHz NMR.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 573
- By:
- Publication type:
- Article
8
A practical valence bond method: A configuration interaction method approach with perturbation theoretic facility.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 472
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- Publication type:
- Article
9
Accurate and efficient generalized born model based on solvent accessibility: Derivation and application for LogP octanol/water prediction and flexible peptide docking.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 609
- By:
- Publication type:
- Article
10
AGBNP: An analytic implicit solvent model suitable for molecular dynamics simulations and high-resolution modeling.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 479
- By:
- Publication type:
- Article
11
Modified Gaussian-2 level investigation of the identity ion-pair S<sub>N</sub>2 reactions of lithium halide and methyl halide with inversion and retention mechanisms.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 461
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- Publication type:
- Article
12
Continuous medium theory for nonequilibrium solvation: I. How to correctly evaluate solvation free energy of nonequilibrium.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 500
- By:
- Publication type:
- Article
13
Vibrational centerligand couplings in transition metal complexes.
- Published in:
- Journal of Computational Chemistry, 2004, v. 25, n. 4, p. 587
- By:
- Publication type:
- Article