Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 13
Results: 15
A method for predicting protein conformational pathways by using molecular dynamics simulations guided by difference distance matrices.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1139, doi. 10.1002/jcc.24296
- By:
- Publication type:
- Article
Structure and electrochemical properties for complexes of nitrocompounds with inorganic ions: A theoretical approach.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1206, doi. 10.1002/jcc.24310
- By:
- Publication type:
- Article
A genetic algorithm encoded with the structural information of amino acids and dipeptides for efficient conformational searches of oligopeptides.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1214, doi. 10.1002/jcc.24311
- By:
- Publication type:
- Article
Cuby: An integrative framework for computational chemistry.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1230, doi. 10.1002/jcc.24312
- By:
- Publication type:
- Article
SIMPRE1.2: Considering the hyperfine and quadrupolar couplings and the nuclear spin bath decoherence.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1238, doi. 10.1002/jcc.24313
- By:
- Publication type:
- Article
Sequence-based prediction of protein-peptide binding sites using support vector machine.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1223, doi. 10.1002/jcc.24314
- By:
- Publication type:
- Article
Cover Image, Volume 37, Issue 13.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. i, doi. 10.1002/jcc.24387
- Publication type:
- Article
Coming Soon, Volume 37, Issue 13.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1133, doi. 10.1002/jcc.24145
- Publication type:
- Article
Table of Contents, Volume 37, Issue 13.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1136, doi. 10.1002/jcc.24146
- Publication type:
- Article
Editorial Board, Volume 37, Issue 13.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1135, doi. 10.1002/jcc.24147
- Publication type:
- Article
Copyright, Volume 37, Issue 13.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1134, doi. 10.1002/jcc.24148
- Publication type:
- Article
Development and validation of hydrophobic molecular fields derived from the quantum mechanical IEF/PCM-MST solvation models in 3D-QSAR.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1147, doi. 10.1002/jcc.24305
- By:
- Publication type:
- Article
Combined QM( DFT)/ MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (y CD).
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1163, doi. 10.1002/jcc.24306
- By:
- Publication type:
- Article
Improving B3 LYP heats of formation with three-dimensional molecular descriptors.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1175, doi. 10.1002/jcc.24308
- By:
- Publication type:
- Article
Automatic molecular structure perception for the universal force field.
- Published in:
- Journal of Computational Chemistry, 2016, v. 37, n. 13, p. 1191, doi. 10.1002/jcc.24309
- By:
- Publication type:
- Article