Works matching IS 01928651 AND DT 1999 AND VI 20 AND IP 9

Results: 9

The relationship between peptide plane rotation (PPR) and similar conformations.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 947, doi. 10.1002/(SICI)1096-987X(19990715)20:9<947::AID-JCC6>3.0.CO;2-S

By:

Parker, J. M. R.

Publication type:

Article

Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 911, doi. 10.1002/(SICI)1096-987X(19990715)20:9<911::AID-JCC2>3.0.CO;2-O

By:

Amat, Lluís;
Carbó-Dorca, Ramon

Publication type:

Article

Solution of three-dimensional reference interaction site model and hypernetted chain equations for simple point charge water by modified method of direct inversion in iterative subspace.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 928, doi. 10.1002/(SICI)1096-987X(19990715)20:9<928::AID-JCC4>3.0.CO;2-X

By:

Kovalenko, Andriy;
Ten-no, Seiichiro;
Hirata, Fumio

Publication type:

Article

Electron localization function comparative study of ground state, triplet state, radical anion, and cation in model carbonyl and imine compounds.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 897, doi. 10.1002/(SICI)1096-987X(19990715)20:9<897::AID-JCC1>3.0.CO;2-4

By:

Fourré, Isabelle;
Silvi, Bernard;
Chaquin, Patrick;
Sevin, Alain

Publication type:

Article

Parametrization of the GMIPp for the study of stacking interactions.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 937, doi. 10.1002/(SICI)1096-987X(19990715)20:9<937::AID-JCC5>3.0.CO;2-W

By:

Hernández, Begoña;
Luque, F. Javier;
Orozco, Modesto

Publication type:

Article

Simple method for locating possible ligand binding sites on protein surfaces.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 983, doi. 10.1002/(SICI)1096-987X(19990715)20:9<983::AID-JCC9>3.0.CO;2-R

By:

Bliznyuk, Andrey A.;
Gready, Jill E.

Publication type:

Article

Polarization effects on peptide conformations at water-membrane interface by molecular dynamics simulation.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 971, doi. 10.1002/(SICI)1096-987X(19990715)20:9<971::AID-JCC8>3.0.CO;2-0

By:

Pascutti, Pedro G.;
Mundim, Kleber C.;
Ito, Amando S.;
Bisch, Paulo M.

Publication type:

Article

Efficient calculation of short-range Coulomb energies.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 921, doi. 10.1002/(SICI)1096-987X(19990715)20:9<921::AID-JCC3>3.0.CO;2-K

By:

Adamson, Ross D.;
Dombroski, Jeremy P.;
Gill, Peter M. W.

Publication type:

Article

Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model.

Published in:

Journal of Computational Chemistry, 1999, v. 20, n. 9, p. 956, doi. 10.1002/(SICI)1096-987X(19990715)20:9<956::AID-JCC7>3.0.CO;2-R

By:

Potter, Michael J.;
Kirchhoff, Paul D.;
Carlson, Heather A.;
McCammon, J. Andrew

Publication type:

Article