Works matching IS 01928651 AND DT 2016 AND VI 37 AND IP 12

Results: 16

Cover Image, Volume 37, Issue 12.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 12, p. ii, doi. 10.1002/jcc.24366
Publication type:: Article

Model parameters for simulation of physiological lipids.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1112, doi. 10.1002/jcc.24324

By:

Hills, Ronald D.;
McGlinchey, Nicholas

Publication type:

Article

Copyright, Volume 37, Issue 12.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1038, doi. 10.1002/jcc.24080
Publication type:: Article

Fast search algorithms for computational protein design.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1048, doi. 10.1002/jcc.24290

By:

Traoré, Seydou;
Roberts, Kyle E.;
Allouche, David;
Donald, Bruce R.;
André, Isabelle;
Schiex, Thomas;
Barbe, Sophie

Publication type:

Article

Reduced-cost sparsity-exploiting algorithm for solving coupled-cluster equations.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1059, doi. 10.1002/jcc.24293

By:

Brabec, Jiri;
Yang, Chao;
Epifanovsky, Evgeny;
Krylov, Anna I.;
Ng, Esmond

Publication type:

Article

The catalytic effect of the NH<sub>3</sub> base on the chemical events in the caryolene-forming carbocation cascade.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1068, doi. 10.1002/jcc.24294

By:

Ortega, Daniela E.;
Nguyen, Quynh Nhu N.;
Tantillo, Dean J.;
Toro‐Labbé, Alejandro

Publication type:

Article

Proton solvation in protic and aprotic solvents.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1082, doi. 10.1002/jcc.24297

By:

Rossini, Emanuele;
Knapp, Ernst‐Walter

Publication type:

Article

s DFIRE: Sequence-specific statistical energy function for protein structure prediction by decoy selections.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1119, doi. 10.1002/jcc.24298

By:

Hoque, Md Tamjidul;
Yang, Yuedong;
Mishra, Avdesh;
Zhou, Yaoqi

Publication type:

Article

Cover Image, Volume 37, Issue 12.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 12, p. i, doi. 10.1002/jcc.24366
Publication type:: Article

Development of massive multilevel molecular dynamics simulation program, platypus (PLATform for dYnamic protein unified simulation), for the elucidation of protein functions.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1125, doi. 10.1002/jcc.24318

By:

Takano, Yu;
Nakata, Kazuto;
Yonezawa, Yasushige;
Nakamura, Haruki

Publication type:

Article

Coming Soon, Volume 37, Issue 12.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1037, doi. 10.1002/jcc.24077
Publication type:: Article

Table of Contents, Volume 37, Issue 12.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1040, doi. 10.1002/jcc.24078
Publication type:: Article

Editorial Board, Volume 37, Issue 12.

Published in:: Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1039, doi. 10.1002/jcc.24079
Publication type:: Article

Wave-function frozen-density embedding: Approximate analytical nuclear ground-state gradients.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1092, doi. 10.1002/jcc.24301

By:

Heuser, Johannes;
Höfener, Sebastian

Publication type:

Article

Temperature dependence of the transport of single-file water molecules through a hydrophobic channel.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1043, doi. 10.1002/jcc.24303

By:

Su, Jiaye;
Yang, Keda

Publication type:

Article

Fullrmc, a rigid body reverse monte carlo modeling package enabled with machine learning and artificial intelligence.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 12, p. 1102, doi. 10.1002/jcc.24304

By:

Aoun, Bachir

Publication type:

Article