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Alkorta, Ibon, Villar, Hugo O., Perez, Juan J. (1993) Comparison of methods to estimate the free energy of solvation:Importance in the modulation of the affinity of 3-benzazepines for the D1receptor. Journal of Computational Chemistry, 14 (5). 620-626 doi:10.1002/jcc.540140514

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Reference TypeJournal (article/letter/editorial)
TitleComparison of methods to estimate the free energy of solvation:Importance in the modulation of the affinity of 3-benzazepines for the D1receptor
JournalJournal of Computational Chemistry
AuthorsAlkorta, IbonAuthor
Villar, Hugo O.Author
Perez, Juan J.Author
Year1993 (May)Volume14
Issue5
PublisherWiley
DOIdoi:10.1002/jcc.540140514Search in ResearchGate
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Mindat Ref. ID3146095Long-form Identifiermindat:1:5:3146095:4
GUID0
Full ReferenceAlkorta, Ibon, Villar, Hugo O., Perez, Juan J. (1993) Comparison of methods to estimate the free energy of solvation:Importance in the modulation of the affinity of 3-benzazepines for the D1receptor. Journal of Computational Chemistry, 14 (5). 620-626 doi:10.1002/jcc.540140514
Plain TextAlkorta, Ibon, Villar, Hugo O., Perez, Juan J. (1993) Comparison of methods to estimate the free energy of solvation:Importance in the modulation of the affinity of 3-benzazepines for the D1receptor. Journal of Computational Chemistry, 14 (5). 620-626 doi:10.1002/jcc.540140514
In(1993, May) Journal of Computational Chemistry Vol. 14 (5) Wiley

See Also

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Alkorta, Ibon, Villar, Hugo O., Cachau, Raul E. (1993) Conformational analysis of 2,3,6,7-tetrahydroazepines with implications for D1-selective benzazepines. Journal of Computational Chemistry, 14 (5). 571-578 doi:10.1002/jcc.540140510
Alkorta, Ibon, Villar, Hugo O., Perez, Juan J. (1993) Effect of the basis set on the computation of molecular polarization. The Journal of Physical Chemistry, 97 (36). 9113-9119 doi:10.1021/j100138a008
Alkorta, Ibon, Villar, Hugo O., Arteca, Gustavo A. (1993) Comparative study betweenab initio and semiempirical electrostatic potentials on molecular surfaces. Journal of Computational Chemistry, 14 (5). 530-540 doi:10.1002/jcc.540140505
Alkorta, Ibon, Perez, Juan J., Villar, Hugo O. (1994) Molecular polarization maps as a tool for studies of intermolecular interactions and chemical reactivity. Journal of Molecular Graphics, 12 (1). 3-13 doi:10.1016/0263-7855(94)80002-2
Perez, Juan J., Villar, Hugo O., Arteca, Gustavo A. (1994) Distribution of Conformational Energy Minima in Molecules with Multiple Torsional Degrees of Freedom. The Journal of Physical Chemistry, 98 (9). 2318-2324 doi:10.1021/j100060a019
Alkorta, Ibon, Bachs, Montse, Perez, Juan J. (1994) The induced polarization of the water molecule. Chemical Physics Letters, 224. 160-165 doi:10.1016/0009-2614(94)00512-5
Alkorta, Ibon, Elguero, Jose, Espinosa, Enrique, Mata, Ignasi, Molins, Elies (2003) Comparison of electron density properties in frozen and relaxed electronic distributions. Journal of Computational Chemistry, 24 (4). 416-421 doi:10.1002/jcc.10204
Ytreberg, F. Marty, Zuckerman, Daniel M. (2004) Efficient use of nonequilibrium measurement to estimate free energy differences for molecular systems. Journal of Computational Chemistry, 25 (14). 1749-1759 doi:10.1002/jcc.20103
Morales, Juan J. (1993) Path integral theory: An improved simulation for the forces in semiclassic systems. Journal of Computational Chemistry, 14 (6). 728-735 doi:10.1002/jcc.540140614
Perez, Juan J., O. Villar, Hugo (1992) Computation of the polarizability of anthracene. Chemical Physics Letters, 188. 604-608 doi:10.1016/0009-2614(92)80874-b
Shaffer, Alan A., Wierschke, Scott G. (1993) Comparison of computational methods applied to oxazole, thiazole, and other heterocyclic compounds. Journal of Computational Chemistry, 14 (1). 75-88 doi:10.1002/jcc.540140112
 
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