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Drug Discovery Today. Technologies
|
September 21, 2013
Modelling cytochromes P450 binding modes to predict P450 inhibition, metabolic stability and isoform selectivity
Emanuele Carosati
Drug Discovery Today
|
January 26, 2010
IAP antagonists: promising candidates for cancer therapy
Raimund Mannhold, Simone Fulda, Emanuele Carosati
Journal of Medicinal Chemistry
|
October 1, 2004
Hydrogen bonding interactions of covalently bonded fluorine atoms: from crystallographic data to a new angular function in the GRID force field
Emanuele Carosati, Simone Sciabola, Gabriele Cruciani
Journal of Medicinal Chemistry
|
May 27, 2005
Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase
Simone Sciabola, Emanuele Carosati, Massimo Baroni, et al.
Molecular Informatics
|
February 21, 2012
Transporter-mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to Target
Fabio Broccatelli, Emanuele Carosati, Gabriele Cruciani, et al.
Journal of Chemical Information and Modeling
|
August 10, 2010
FLAP: GRID molecular interaction fields in virtual screening. validation using the DUD data set
Simon Cross, Massimo Baroni, Emanuele Carosati, et al.
Molecular Pharmaceutics
|
June 30, 2012
QSAR modeling and data mining link Torsades de Pointes risk to the interplay of extent of metabolism, active transport, and HERG liability
Fabio Broccatelli, Raimund Mannhold, Alessio Moriconi, et al.
Bioinformatics (Oxford, England)
|
July 11, 2023
MOViDA: multiomics visible drug activity prediction with a biologically informed neural network model
Luigi Ferraro, Giovanni Scala, Luigi Cerulo, et al.
Bioorganic & Medicinal Chemistry
|
July 31, 2007
Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: comparison versus other 2D- and 3D-descriptors
Simone Sciabola, Emanuele Carosati, Lourdes Cucurull-Sanchez, et al.
Biochimie
|
July 6, 2010
On the catalytic role of the active site residue E121 of E. coli L-aspartate oxidase
Gabriella Tedeschi, Simona Nonnis, Bice Strumbo, et al.
Page
of 5
Search research articles
Search
Showing results (1-10 of 46) with videos related to
Sort By:
Page
of 5
Drug Discovery Today. Technologies
|
September 21, 2013
Modelling cytochromes P450 binding modes to predict P450 inhibition, metabolic stability and isoform selectivity
Emanuele Carosati
Drug Discovery Today
|
January 26, 2010
IAP antagonists: promising candidates for cancer therapy
Raimund Mannhold, Simone Fulda, Emanuele Carosati
Journal of Medicinal Chemistry
|
October 1, 2004
Hydrogen bonding interactions of covalently bonded fluorine atoms: from crystallographic data to a new angular function in the GRID force field
Emanuele Carosati, Simone Sciabola, Gabriele Cruciani
Journal of Medicinal Chemistry
|
May 27, 2005
Comparison of ligand-based and structure-based 3D-QSAR approaches: a case study on (aryl-)bridged 2-aminobenzonitriles inhibiting HIV-1 reverse transcriptase
Simone Sciabola, Emanuele Carosati, Massimo Baroni, et al.
Molecular Informatics
|
February 21, 2012
Transporter-mediated Efflux Influences CNS Side Effects: ABCB1, from Antitarget to Target
Fabio Broccatelli, Emanuele Carosati, Gabriele Cruciani, et al.
Journal of Chemical Information and Modeling
|
August 10, 2010
FLAP: GRID molecular interaction fields in virtual screening. validation using the DUD data set
Simon Cross, Massimo Baroni, Emanuele Carosati, et al.
Molecular Pharmaceutics
|
June 30, 2012
QSAR modeling and data mining link Torsades de Pointes risk to the interplay of extent of metabolism, active transport, and HERG liability
Fabio Broccatelli, Raimund Mannhold, Alessio Moriconi, et al.
Bioinformatics (Oxford, England)
|
July 11, 2023
MOViDA: multiomics visible drug activity prediction with a biologically informed neural network model
Luigi Ferraro, Giovanni Scala, Luigi Cerulo, et al.
Bioorganic & Medicinal Chemistry
|
July 31, 2007
Novel TOPP descriptors in 3D-QSAR analysis of apoptosis inducing 4-aryl-4H-chromenes: comparison versus other 2D- and 3D-descriptors
Simone Sciabola, Emanuele Carosati, Lourdes Cucurull-Sanchez, et al.
Biochimie
|
July 6, 2010
On the catalytic role of the active site residue E121 of E. coli L-aspartate oxidase
Gabriella Tedeschi, Simona Nonnis, Bice Strumbo, et al.
Page
of 5