Results 201 to 210 of about 1,444,758 (235)
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3D-QSAR with R: A new 3D-QSAR methodology applied to a set of DGAT1 inhibitors [corrected].
Computational biology and chemistry, 2018The rapid advances in computational methods for the drug design have resulted in the accurate predictions of biological activities of ligands with or without the availability of enzyme structures. 3D-QSAR is one of the computational methods used for such purpose.
Rajesh B, Patil +4 more
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3D-QSAR: a current perspective
Trends in Pharmacological Sciences, 1995S M, Green, G R, Marshall
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2013
A script-driven workflow for the TDT Challenge 2 is proposed, which combines structure-based and ligand-based methodologies. Ligands and proteins were prepared using OpenBabel and UCSF Chimera. Ensemble docking of DSM inhibitors on five crystallographic DHODH structures was carried out with AutoDock VINA.
openaire +1 more source
A script-driven workflow for the TDT Challenge 2 is proposed, which combines structure-based and ligand-based methodologies. Ligands and proteins were prepared using OpenBabel and UCSF Chimera. Ensemble docking of DSM inhibitors on five crystallographic DHODH structures was carried out with AutoDock VINA.
openaire +1 more source
“NanoBRIDGES” software: Open access tools to perform QSAR and nano-QSAR modeling
Chemometrics and Intelligent Laboratory Systems, 2015Pravin Ambure +2 more
exaly
On Two Novel Parameters for Validation of Predictive QSAR Models
Molecules, 2009Partha Pratim Roy +2 more
exaly
Comparison of Different Approaches to Define the Applicability Domain of QSAR Models
Molecules, 2012Viviana Consonni +2 more
exaly
The expanding role of quantitative structure-activity relationships (QSAR) in toxicology
Toxicology Letters, 1995A Leo, C Hänsch
exaly