Works matching IS 01928651 AND DT 2017 AND VI 38 AND IP 31
Results: 10
Temperature-shuffled parallel cascade selection molecular dynamics accelerates the structural transitions of proteins.
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- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2671, doi. 10.1002/jcc.25060
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Adaptive-numerical-bias metadynamics.
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- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2721, doi. 10.1002/jcc.25066
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Comparison of a quantum random number generator with pseudorandom number generators for their use in molecular Monte Carlo simulations.
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- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2713, doi. 10.1002/jcc.25065
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Cover Image, Volume 38, Issue 31.
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- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. i, doi. 10.1002/jcc.25087
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- Article
A computational study of samarium diiodide-induced cyclizations of N-oxoalkyl-substituted methyl indole-3-carboxylates-A rationale of the diastereoselectivity.
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- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2693, doi. 10.1002/jcc.25055
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Investigation of challenging spin systems using Monte Carlo configuration interaction and the density matrix renormalization group.
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- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2701, doi. 10.1002/jcc.25057
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Ergodicity and model quality in template-restrained canonical and temperature/Hamiltonian replica exchange coarse-grained molecular dynamics simulations of proteins.
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- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2730, doi. 10.1002/jcc.25070
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- Article
Dynamic covalent bond from first principles: Diarylbibenzofuranone structural, electronic, and oxidation studies.
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- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2675, doi. 10.1002/jcc.24899
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Issue Information.
- Published in:
- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2665, doi. 10.1002/jcc.24656
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- Article
The influence of the metal cations and microhydration on the reaction trajectory of the N3 ↔ O2 thymine proton transfer: Quantum mechanical study.
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- Journal of Computational Chemistry, 2017, v. 38, n. 31, p. 2680, doi. 10.1002/jcc.24911
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- Article