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Rational Drug Design (Paperback, Softcover reprint of the original 1st ed. 1999)
Loot Price: R2,936
Discovery Miles 29 360
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Rational Drug Design (Paperback, Softcover reprint of the original 1st ed. 1999)
Series: The IMA Volumes in Mathematics and its Applications, 108
Expected to ship within 10 - 15 working days
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Drug research and discovery are of critical importance in human
health care. Computational approaches for drug lead discovery and
optimization have proven successful in many recent research
programs. These methods have grown in their effectiveness not only
because of improved understanding of the basic science - the
biological events and molecular interactions that define a target
for therapeutic intervention - but also because of advances in
algorithms, representations, and mathematical procedures for
studying such processes. This volume surveys some of those
advances. A broad landscape of high-profile topics in
computer-assisted molecular design (CAMD) directed to drug design
are included. Subject areas represented in the volume include
receptor-based applications such as binding energy approximations,
molecular docking, and de novo design; non-receptor-based
applications such as molecular similarity; molecular dynamics
simulations; solvation and partitioning of a solute between aqueous
and nonpolar media; graph theory; non-linear multidimensional
optimization, processing of information obtained from simulation
studies, global optimization and search strategies, and performance
enhancement through parallel computing.
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