SM-TF: A structural database of small molecule-transcription factor complexes.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1559, doi. 10.1002/jcc.24370
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- Publication type:
- Article
Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 17
Results: 12
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2
Walking freely in the energy and temperature space by the modified replica exchange molecular dynamics method.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1565, doi. 10.1002/jcc.24371
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- Publication type:
- Article
3
Reparameterizations of the χ Torsion and Lennard-Jones σ Parameters Improve the Conformational Characteristics of Modified Uridines.
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- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1576, doi. 10.1002/jcc.24374
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- Article
4
Converging ligand-binding free energies obtained with free-energy perturbations at the quantum mechanical level.
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- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1589, doi. 10.1002/jcc.24375
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- Publication type:
- Article
5
Influence of a polarizable surrounding on the electronically excited states of aggregated perylene materials.
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- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1601, doi. 10.1002/jcc.24376
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- Publication type:
- Article
6
Hydrogen bonding in the hydroxysulfinyl radical-formic acid-water system: A theoretical study.
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- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1611, doi. 10.1002/jcc.24378
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- Article
7
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1525, doi. 10.1002/jcc.24153
- Publication type:
- Article
8
Cover Image, Volume 37, Issue 17.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. i, doi. 10.1002/jcc.24413
- Publication type:
- Article
9
Quantum monte carlo study of the energetics of small hydrogenated and fluoride lithium clusters.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1531, doi. 10.1002/jcc.24363
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- Article
10
Libra: An open-Source 'methodology discovery' library for quantum and classical dynamics simulations.
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- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1626, doi. 10.1002/jcc.24367
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- Publication type:
- Article
11
SOP-GPU: influence of solvent-induced hydrodynamic interactions on dynamic structural transitions in protein assemblies.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1537, doi. 10.1002/jcc.24368
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- Publication type:
- Article
12
Computational study of basis set and electron correlation effects on anapole magnetizabilities of chiral molecules.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 17, p. 1552, doi. 10.1002/jcc.24369
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- Publication type:
- Article