3D QSAR in Drug Design
Springer (Verlag)
978-0-7923-4790-3 (ISBN)
Ligand-Protein Interactions.- Progress in Force-Field Calculations of Molecular Interaction Fields and Intermolecular Interactions.- Comparative Binding Energy Analysis.- Receptor-Based Prediction of Binding Affinities.- A Priori Prediction of Ligand Affinity by Energy Minimization.- Rapid Estimation of Relative Binding Affinities of Enzyme Inhibitors.- Binding Affinities and Non-Bonded Interaction Energies.- Molecular Mechanics Calculations on Protein-Ligand Complexes.- Quantum Chemical Models and Molecular Dynamics Simulations.- Some Biological Applications of Semiempirical MO Theory.- Density-Functional Theory and Molecular Dynamics: A New Perspective for Simulations of Biological Systems.- Density-Functional Theory Investigations of Enzyme-substrate Interactions.- Molecular Dynamics Simulations: A Tool for Drug Design.- Pharmacophore Modelling and Molecular Similarity.- Bioisosterism and Molecular Diversity.- Similarity and Dissimilarity: A Medicinal Chemist’s View.- Pharmacophore Modelling: Methods,Experimental Verification and Applications.- The Use of Self-organizing Neural Networks in Drug Design.- Calculation of Structural Similarity by the Alignment of Molecular Electrostatic Potentials.- Explicit Calculation of 3D Molecular Similarity.- Novel Software Tools for Chemical Diversity.- New 3D Molecular Descriptors: The WHIM theory and QSAR Applications.- EVA: A Novel Theoretical Descriptor for QSAR Studies.
Reihe/Serie | 3D QSAR in Drug Design ; BD 2 | 1.20 | Three-Dimensional Quantitative Structure Activity Relationships ; 2 |
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Zusatzinfo | IX, 417 p. |
Verlagsort | Dordrecht |
Sprache | englisch |
Maße | 210 x 297 mm |
Themenwelt | Mathematik / Informatik ► Informatik |
Naturwissenschaften ► Chemie ► Physikalische Chemie | |
Technik | |
ISBN-10 | 0-7923-4790-0 / 0792347900 |
ISBN-13 | 978-0-7923-4790-3 / 9780792347903 |
Zustand | Neuware |
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