Works matching IS 01928651 AND DT 2014 AND VI 35 AND IP 5
Results: 10
Development and use of an atomistic CHARMM-based forcefield for peptoid simulation.
- Published in:
- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 360, doi. 10.1002/jcc.23478
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- Article
Origin of the 'endo rule' in Diels-Alder reactions.
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- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 371, doi. 10.1002/jcc.23500
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- Article
Comparing distance metrics for rotation using the k-nearest neighbors algorithm for entropy estimation.
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- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 377, doi. 10.1002/jcc.23504
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- Article
TiS<sub>2</sub> and ZrS<sub>2</sub> single- and double-wall nanotubes: First-principles study.
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- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 395, doi. 10.1002/jcc.23508
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- Article
Halogen bonds with benzene: An assessment of DFT functionals.
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- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 386, doi. 10.1002/jcc.23507
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- Article
Cover Image, Volume 35, Issue 5.
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- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. i, doi. 10.1002/jcc.23529
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- Article
Cover Image, Volume 35, Issue 5.
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- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. v, doi. 10.1002/jcc.23531
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- Article
Multipolar electrostatics for proteins: Atom-atom electrostatic energies in crambin.
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- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 343, doi. 10.1002/jcc.23469
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- Article
New faster CHARMM molecular dynamics engine.
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- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. 406, doi. 10.1002/jcc.23501
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- Article
Cover Image, Volume 35, Issue 5.
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- Journal of Computational Chemistry, 2014, v. 35, n. 5, p. iii, doi. 10.1002/jcc.23530
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- Article