Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 4

Results: 12

Cover Image, Volume 37, Issue 4.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 4, p. i, doi. 10.1002/jcc.24291
Publication type:: Article

Cover Image, Volume 37, Issue 4.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 4, p. ii, doi. 10.1002/jcc.24292
Publication type:: Article

Attracting cavities for docking. Replacing the rough energy landscape of the protein by a smooth attracting landscape.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 437, doi. 10.1002/jcc.24249

By:

Zoete, Vincent;
Schuepbach, Thierry;
Bovigny, Christophe;
Chaskar, Prasad;
Daina, Antoine;
Röhrig, Ute F.;
Michielin, Olivier

Publication type:

Article

Protein:Ligand binding free energies: A stringent test for computational protein design.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 404, doi. 10.1002/jcc.24230

By:

Druart, Karen;
Palmai, Zoltan;
Omarjee, Eyaz;
Simonson, Thomas

Publication type:

Article

DIRECT-ID: An automated method to identify and quantify conformational variations-application to β<sub>2</sub>-adrenergic GPCR.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 416, doi. 10.1002/jcc.24231

By:

Lakkaraju, Sirish Kaushik;
Lemkul, Justin A.;
Huang, Jing;
MacKerell, Alexander D.

Publication type:

Article

Protein folds recognized by an intelligent predictor based-on evolutionary and structural information.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 426, doi. 10.1002/jcc.24232

By:

Cheung, Ngaam J.;
Ding, Xue‐Ming;
Shen, Hong‐Bin

Publication type:

Article

Coming Soon, Volume 37, Issue 4.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 389, doi. 10.1002/jcc.24061
Publication type:: Article

Table of Contents, Volume 37, Issue 4.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 392, doi. 10.1002/jcc.24062
Publication type:: Article

Editorial Board, Volume 37, Issue 4.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 391, doi. 10.1002/jcc.24063
Publication type:: Article

Copyright, Volume 37, Issue 4.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 390, doi. 10.1002/jcc.24064
Publication type:: Article

Shift-and-invert parallel spectral transformation eigensolver: Massively parallel performance for density-functional based tight-binding.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 448, doi. 10.1002/jcc.24254

By:

Keçeli, Murat;
Zhang, Hong;
Zapol, Peter;
Dixon, David A.;
Wagner, Albert F.

Publication type:

Article

Spin-orbit ZORA and four-component Dirac- Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 4, p. 395, doi. 10.1002/jcc.24228

By:

Jankowska, Marzena;
Kupka, Teobald;
Stobiński, Leszek;
Faber, Rasmus;
Lacerda, Evanildo G.;
Sauer, Stephan P. A.

Publication type:

Article