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On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling”

On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to... This is a postprint of Accounts of chemical research, 42(4), 489-492. The original paper can be found under http://pubs.acs.org/doi/abs/10.1021/ar800187p On the performance of continuum solvation methods. A comment on “Universal approaches to solvation modeling” *,1,2 3 3 4 5 Andreas Klamt, Benedetta Mennucci, Jacopo Tomasi, Vincenzo Barone, Carles Curutchet, 6 7 Modesto Orozco and F. Javier Luque 1 COSMOlogic GmbH&COKG, Burscheider Str. 515, 51381 Leverkusen, Germany 2 Department of Physical and Theoretical Chemistry, University of Regensburg, 93040 Regensburg, Germany 3 Department of Chemistry, University of Pisa, Via Risorgimento 35, 56126 Pisa, Italy 4 IPCF-CNR, via Moruzzi 1, 56100 Pisa and Dipartimento di Chimica Università Federico II, Napoli. 5 present affiliation: Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario, M5S 3H6 CANADA 6 Molecular Modeling and Bioinformatics Unit, Institut de Recerca Biomèdica. Barcelona Scientific Park, Josep Samitier 1-6, 08028 Barcelona, Spain, Department of Life Sciences, Barcelona Supercomputing Centre, Jordi Girona 29, 08034 Barcelona, Spain and Departament de Bioquímica, Facultat de Biologia, Avgda Diagonal 647, Barcelona 08028, Spain 7 Department of Physical Chemistry and Institute of Biomedicine (IBUB), Faculty of Pharmacy, University of Barcelona, Avda. Diagonal 643, 08028 Barcelona, Spain RECEIVED DATE (to be automatically inserted after http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Accounts of Chemical Research Unpaywall

On the Performance of Continuum Solvation Methods. A Comment on “Universal Approaches to Solvation Modeling”

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Unpaywall
ISSN
0001-4842
DOI
10.1021/ar800187p
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Abstract

This is a postprint of Accounts of chemical research, 42(4), 489-492. The original paper can be found under http://pubs.acs.org/doi/abs/10.1021/ar800187p On the performance of continuum solvation methods. A comment on “Universal approaches to solvation modeling” *,1,2 3 3 4 5 Andreas Klamt, Benedetta Mennucci, Jacopo Tomasi, Vincenzo Barone, Carles Curutchet, 6 7 Modesto Orozco and F. Javier Luque 1 COSMOlogic GmbH&COKG, Burscheider Str. 515, 51381 Leverkusen, Germany 2 Department of Physical and Theoretical Chemistry, University of Regensburg, 93040 Regensburg, Germany 3 Department of Chemistry, University of Pisa, Via Risorgimento 35, 56126 Pisa, Italy 4 IPCF-CNR, via Moruzzi 1, 56100 Pisa and Dipartimento di Chimica Università Federico II, Napoli. 5 present affiliation: Department of Chemistry, University of Toronto, 80 St. George Street, Toronto, Ontario, M5S 3H6 CANADA 6 Molecular Modeling and Bioinformatics Unit, Institut de Recerca Biomèdica. Barcelona Scientific Park, Josep Samitier 1-6, 08028 Barcelona, Spain, Department of Life Sciences, Barcelona Supercomputing Centre, Jordi Girona 29, 08034 Barcelona, Spain and Departament de Bioquímica, Facultat de Biologia, Avgda Diagonal 647, Barcelona 08028, Spain 7 Department of Physical Chemistry and Institute of Biomedicine (IBUB), Faculty of Pharmacy, University of Barcelona, Avda. Diagonal 643, 08028 Barcelona, Spain RECEIVED DATE (to be automatically inserted after

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Accounts of Chemical Research – Unpaywall

Published: Feb 17, 2009

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