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Works matching IS 17590876 AND DT 2014 AND VI 4 AND IP 3

Results: 7

1

The Dalton quantum chemistry program system.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 3, p. 269, doi. 10.1002/wcms.1172

By:

Aidas, Kestutis;
Angeli, Celestino;
Bak, Keld L.;
Bakken, Vebjørn;
Bast, Radovan;
Boman, Linus;
Christiansen, Ove;
Cimiraglia, Renzo;
Coriani, Sonia;
Dahle, Pål;
Dalskov, Erik K.;
Ekström, Ulf;
Enevoldsen, Thomas;
Eriksen, Janus J.;
Ettenhuber, Patrick;
Fernández, Berta;
Ferrighi, Lara;
Fliegl, Heike;
Frediani, Luca;
Hald, Kasper

Publication type:

Article

2

The power of coarse graining in biomolecular simulations.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 3, p. 225, doi. 10.1002/wcms.1169

By:

Ingólfsson, Helgi I.;
Lopez, Cesar A.;
Uusitalo, Jaakko J.;
de Jong, Djurre H.;
Gopal, Srinivasa M.;
Periole, Xavier;
Marrink, Siewert J.

Publication type:

Article

3

Analytical derivatives, forces, force constants, molecular geometries, and related response properties in electronic structure theory.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 3, p. 169, doi. 10.1002/wcms.1171

By:

Pulay, Peter

Publication type:

Article

4

Wavefunction methods for the accurate characterization of water clusters.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 3, p. 199, doi. 10.1002/wcms.1168

By:

Howard, J. Coleman;
Tschumper, Gregory S.

Publication type:

Article

5

Prediction of pathological mutations in proteins: the challenge of integrating sequence conservation and structure stability principles.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 3, p. 249, doi. 10.1002/wcms.1170

By:

Riera, Casandra;
Lois, Sergio;
de la Cruz, Xavier

Publication type:

Article

6

Insights into the binding of intrinsically disordered proteins from molecular dynamics simulation.

Published in:

WIREs: Computational Molecular Science, 2014, v. 4, n. 3, p. 182, doi. 10.1002/wcms.1167

By:

Baker, Christopher M.;
Best, Robert B.

Publication type:

Article

7

Issue information.

Published in:: 2014
Publication type:: Other