Search Result "nonempirical descriptors"
Mathematical Descriptors for the Prediction of Property, Bioactivity, and Toxicity of Chemicals from their Structure: A Chemical-Cum-Biochemical Approach
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 4 Year: 2013 Page: 449-462
Author(s): Subhash C. Basak
Predicting Dopamine Receptors Binding Affinity of N-[4-(4-Arylpiperazin- 1-yl) butyl]Aryl Carboxamides: Computational Approach Using Topological Descriptors
Journal: Current Drug Discovery Technologies
Volume: 2 Issue: 2 Year: 2005 Page: 115-121
Author(s): Viney Lather, A. K. Madan
Molecular Factors Influencing the Affinity of Flavonoid Compounds on PGlycoprotein Efflux Transporter
Journal: Current Computer-Aided Drug Design
Volume: 10 Issue: 3 Year: 2014 Page: 250-258
Author(s): Rodolfo N. Vazquez,Alejandra B. Camargo,Eduardo J. Marchevsky,Juan M. Luco
QSAR Studies on Blood-Brain Barrier Permeation
Journal: Current Computer-Aided Drug Design
Volume: 2 Issue: 1 Year: 2006 Page: 31-55
Author(s): Juan M. Luco, Eduardo Marchevsky
Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts
Development, Validation, and Applications of Anisotropic Polarizable Molecular Mechanics to Study Ligand and Drug-Receptor Interactions
Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 2121-2158
Author(s): Nohad Gresh