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Journal of Chemical Information and Modeling
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April 6, 2005
Topological quantum similarity indices based on fitted densities: theoretical background and QSPR application
Anna Gallegos, Xavier Gironés
Journal of Chemical Information and Modeling
|
May 23, 2006
Molecular Quantum Similarity Measures from Fermi hole densities: modeling Hammett sigma constants
Xavier Gironés, Robert Ponec
Journal of Computational Chemistry
|
December 4, 2003
TGSA-Flex: Extending the capabilities of the Topo-Geometrical Superposition Algorithm to handle flexible molecules
Xavier Gironés, Ramon Carbó-Dorca
Journal of Chemical Information and Computer Sciences
|
March 26, 2002
Using molecular quantum similarity measures under stochastic transformation to describe physical properties of molecular systems
Xavier Gironés, Ramon Carbó-Dorca
Journal of Chemical Information and Computer Sciences
|
October 16, 2002
Molecular quantum similarity-based QSARs for binding affinities of several steroid sets
Xavier Gironés, Ramon Carbó-Dorca
Journal of Chemical Information and Computer Sciences
|
July 23, 2002
Modeling large macromolecular structures using promolecular densities
Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
Molecular basis of LFER. Modeling of the electronic substituent effect using fragment quantum self-similarity measures
Xavier Gironés, Ramon Carbó-Dorca, Robert Ponec
Accounts of Chemical Research
|
May 22, 2002
Molecular quantum similarity and the fundamentals of QSAR
Emili Besalú, Xavier Gironés, Lluís Amat, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2003
Quantum similarity superposition algorithm (QSSA): a consistent scheme for molecular alignment and molecular similarity based on quantum chemistry
Patrick Bultinck, Tom Kuppens, Xavier Gironés, et al.
Biophysical Chemistry
|
July 25, 2003
Rational modelling of the voltage-dependent K+ channel inactivation by aminopyridines
Alfonso Niño, Camelia Muñoz-Caro, Ramón Carbó-Dorca, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
April 6, 2005
Topological quantum similarity indices based on fitted densities: theoretical background and QSPR application
Anna Gallegos, Xavier Gironés
Journal of Chemical Information and Modeling
|
May 23, 2006
Molecular Quantum Similarity Measures from Fermi hole densities: modeling Hammett sigma constants
Xavier Gironés, Robert Ponec
Journal of Computational Chemistry
|
December 4, 2003
TGSA-Flex: Extending the capabilities of the Topo-Geometrical Superposition Algorithm to handle flexible molecules
Xavier Gironés, Ramon Carbó-Dorca
Journal of Chemical Information and Computer Sciences
|
March 26, 2002
Using molecular quantum similarity measures under stochastic transformation to describe physical properties of molecular systems
Xavier Gironés, Ramon Carbó-Dorca
Journal of Chemical Information and Computer Sciences
|
October 16, 2002
Molecular quantum similarity-based QSARs for binding affinities of several steroid sets
Xavier Gironés, Ramon Carbó-Dorca
Journal of Chemical Information and Computer Sciences
|
July 23, 2002
Modeling large macromolecular structures using promolecular densities
Xavier Gironés, Lluís Amat, Ramon Carbó-Dorca
Journal of Chemical Information and Computer Sciences
|
November 25, 2003
Molecular basis of LFER. Modeling of the electronic substituent effect using fragment quantum self-similarity measures
Xavier Gironés, Ramon Carbó-Dorca, Robert Ponec
Accounts of Chemical Research
|
May 22, 2002
Molecular quantum similarity and the fundamentals of QSAR
Emili Besalú, Xavier Gironés, Lluís Amat, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2003
Quantum similarity superposition algorithm (QSSA): a consistent scheme for molecular alignment and molecular similarity based on quantum chemistry
Patrick Bultinck, Tom Kuppens, Xavier Gironés, et al.
Biophysical Chemistry
|
July 25, 2003
Rational modelling of the voltage-dependent K+ channel inactivation by aminopyridines
Alfonso Niño, Camelia Muñoz-Caro, Ramón Carbó-Dorca, et al.
Page
of 2