|
|
|
|
||
|
HELP | |
|
 $158.00 List price:
Used Hardcover
Ships in 1 to 3 days
 available for shipping or prepaid pickup only
Available for In-store Pickup
in 7 to 12 days
More copies of this ISBN:Computational Medicinal Chemistry for Drug Discovery (03 Edition)by Patrick Bultinck
Synopses & ReviewsPlease note that used books may not include additional media (study guides, CDs, DVDs, solutions manuals, etc.) as described in the publisher comments.
Publisher Comments:Observing computational chemistry's proven value to the introduction of new medicines, this reference offers the techniques most frequently utilized by industry and academia for ligand design. Featuring contributions from more than fifty pre-eminent scientists, Computational Medicinal Chemistry for Drug Discovery surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling responding to market demands in its selection and authoritative treatment of topics. The book examines molecular mechanics, semi-empirical methods, wave function-based quantum chemistry, density functional theory, 3-D structure generation, and hybrid methods. Book News Annotation:Bultinck (computational chemistry, Ghent University, Belgium)
collects techniques used by industry and academia for ligand design.
Contributors survey molecular structure computation, intermolecular
behavior, ligand-receptor interaction, and modeling. Early chapters
are devoted to methods for the computation of molecular structure,
and later chapters describe aspects of molecular behavior in terms of
properties such as electrostatic potential, nonbonded interactions,
and behavior in solvents. An evaluation of protein structure
determination is followed by accounts of docking and scoring,
pharmacophore identification 3D searching, and molecular descriptors.
Further chapters cover 2D and 3D models using classical molecular and
quantum-based descriptors and models derived from data mining
techniques and library design.
Annotation ©2004 Book News, Inc., Portland, OR (booknews.com) What Our Readers Are SayingBe the first to add a comment for a chance to win!Product Details
Related Aisles
| |||||||||
|
| ||||||||||
|
||||||||||
Don't Miss
