Rational Drug Design by Donald G Truhlar
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.-
Probability and Partial Differential Equations in Modern Applied Mathematics
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Modeling, Stochastic Control, Optimization, and Applications
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Computational Fluid Dynamics and Reacting Gas Flows
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Mathematics of DNA Structure, Function and Interactions
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Multiparticle Quantum Scattering with Applications to Nuclear, Atomic and Molecular Physics
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Inverse Problems in Wave Propagation
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Free Boundaries in Viscous Flows
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Mathematics in Industrial Problems
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Natural Locomotion in Fluids and on Surfaces
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Twist Mappings and Their Applications
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Codes, Systems, and Graphical Models
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Coding Theory and Design Theory
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Nonlinear Phenomena in Atmospheric and Oceanic Sciences
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Singularities and Oscillations
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Dynamical Issues in Combustion Theory
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Statistical Models in Epidemiology, the Environment, and Clinical Trials
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Pattern Formation in Continuous and Coupled Systems
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Random Sets
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Discrete Probability and Algorithms
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Large-Scale Optimization with Applications
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Nonlinear Optical Materials
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Quasiclassical Methods
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Frontiers in PDE-Constrained Optimization
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Energy Markets and Responsive Grids
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Radar and Sonar
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Theory and Applications of Liquid Crystals
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Classical and Modern Branching Processes
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Symmetric Functionals on Random Matrices and Random Matchings Problems
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Applications of Combinatorics and Graph Theory to the Biological and Social Sciences
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Numerical Algorithms for Modern Parallel Computer Architectures
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Discrete Event Systems, Manufacturing Systems, and Communication Networks
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Hydrodynamic Behavior and Interacting Particle Systems
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Nonlinear Stochastic PDEs
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Shock Induced Transitions and Phase Structures in General Media
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Particulate Flows
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Stochastic Differential Systems, Stochastic Control Theory and Applications
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q-Series and Partitions
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Signal Processing
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Mathematical Approaches to Biomolecular Structure and Dynamics
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Recent Advances in Iterative Methods
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Mathematical Frontiers in Computational Chemical Physics
| SKU | Unavailable |
| ISBN 13 | 9781461271598 |
| ISBN 10 | 1461271592 |
| Title | Rational Drug Design |
| Author | Donald G Truhlar |
| Series | The Ima Volumes In Mathematics And Its Applications |
| Condition | Unavailable |
| Binding Type | Paperback |
| Publisher | Springer-Verlag New York Inc. |
| Year published | 2012-10-08 |
| Number of pages | 213 |
| Cover note | Book picture is for illustrative purposes only, actual binding, cover or edition may vary. |
| Note | Unavailable |