3D QSAR in Drug Design Recent Advances /

• Συγγραφή απο Οργανισμό/Αρχή: SpringerLink (Online service)
• Άλλοι συγγραφείς: Kubinyi, Hugo (Επιμελητής έκδοσης), Folkers, Gerd (Επιμελητής έκδοσης), Martin, Yvonne C. (Επιμελητής έκδοσης)
• Μορφή: Ηλεκτρονική πηγή Ηλ. βιβλίο
• Γλώσσα: English
• Έκδοση: Dordrecht : Springer Netherlands, 1998.
• Σειρά: Three-Dimensional Quantitative Structure Activity Relationships ; 3
• Θέματα: Chemistry.; Chemoinformatics.; Computer Applications in Chemistry.

Significant progress has been made in the study of three-dimensional quantitative structure-activity relationships (3D QSAR) since the first publication by Richard Cramer in 1988 and the first volume in the series, 3D QSAR in Drug Design. Theory, Methods and Applications, published in 1993. The aim...

Πίνακας περιεχομένων:

• 3D QSAR Methodology CoMFA and Related Approaches
• 3D QSAR: Current State, Scope, and Limitations
• Recent Progress in CoMFA Methodology and Related Techniques
• Improving the Predictive Quality of CoMFA Models
• Cross-Validated R2 Guided Region Selection for CoMFA Studies
• GOLPE-Guided Region Selection
• Comparative Molecular Similarity Indices Analysis: CoMSIA
• Alternative Partial Least-Squares (PLS) Algorithms
• Receptor Models and Other 3D QSAR Approaches
• Receptor Surface Models
• Pseudoreceptor Modelling in Drug Design: Applications of Yak and PrGen
• Genetically Evolved Receptor Models (GERM) as a 3D QSAR Tool
• 3D QSAR of Flexible Molecules Using Tensor Representation
• Comparative Molecular Moment Analysis (CoMMA)
• 3D QSAR Applications
• The CoMFA Steroids as a Benchmark Dataset for Development of 3D QSAR Methods
• Molecular Similarity Characterization Using CoMFA
• Building a Bridge between G-Protein-Coupled Receptor Modelling, Protein Crystallography and 3D QSAR Studies for Ligand Design
• A Critical Review of Recent CoMFA Applications.