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1. |
Record Nr. |
UNINA9910143988603321 |
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Titolo |
Reviews in computational chemistry III / / edited by Kenny B. Lipkowitz and Donald B. Boyd |
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Pubbl/distr/stampa |
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New York, NY, : VCH, c1992 |
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ISBN |
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1-282-30842-4 |
9786612308420 |
0-470-12580-2 |
0-470-12607-8 |
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Descrizione fisica |
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1 online resource (290 p.) |
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Collana |
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Reviews in computational chemistry ; ; 3 |
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Altri autori (Persone) |
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LipkowitzKenny B |
BoydDonald B |
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Disciplina |
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Soggetti |
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Chemistry - Data processing |
Chemistry - Mathematics |
Electronic books. |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references and indexes. |
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Nota di contenuto |
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Reviews in Computational Chemistry 111; Contents; Optimization Methods in Computational Chemistry; Introduction; Mathematical Preliminaries; Notation; Problem Statement; Matrix Characteristics; Conditions at Minima; Analysis of Functions; Basic Approaches to Large-Scale Optimization; Size and Space Limitations; Search Techniques; Local and Global Methods; Basic Descent Structure of Local Methods; Descent Directions; Line Search and Trust Region Steps; Convergence Criteria; Convergence Characterization; Nonderivative Methods; Gradient Methods; Steepest Descent; Conjugate Gradient |
PreconditioningNonlinear Conjugate Gradient; Newton Methods; Overview; Discrete Newton; Quasi-Newton; Truncated Newton; Perspective and Computational Examples; Comparisons; Numerical Example I: Rosenbrock Minimization; Numerical Example II: Deoxycytidine; Numerical Example III: Water Clusters; New Technologies; Acknowledgments; References; Predicting Three-Dimensional Structures of Oligopeptides; Introduction; Theoretical |
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Foundations; Generation of Oligopeptide Chain; Residue Geometry; End-Group Geometry; Constructing a Molecule; Ring Closure without Symmetry; Ring Closure with Symmetry |
Early Use of Hard-Sphere PotentialMore Realistic Potentials; Potential Functions; Optimization Methods; Ancillary Techniques; Application to Simple Systems; Multiple-Minima Problem; Build-up Methods; Optimization of Electrostatics (Self-consistent Electric Field); Monte Carlo plus Minimization; Electrostatically Driven Monte Carlo; Adaptive Importance Sampling Monte Carlo; Increase in Dimensionality; Deformation of the Potential Energy Hypersurface; Mean-Field Theory; Simulated Annealing; Extension of Methodology to Large Polypeptides and Proteins; Build-up Method |
Build-up with Limited ConstraintsCalculations with Constraints; Use of Homology; Pattern-Recognition Importance Sampling Minimization (PRISM); Outlook for the Future; Acknowledgments; References; Molecular Modeling Using Nuclear Magnetic Resonance Data; Introduction; Scope and Definitions; Historical Perspective; Molecular Representation; Generating Initial Structures; Metric Matrix Method; Variable Target Function Method; Other Methods for Generating Initial Structures; Modeling of Experimental Data; Distance Restraints; Averaging over Discrete Conformations |
Time-Averaged Distance RestraintsDirect NOE Refinement; Dihedral Angle Restraints; Refinement, Minimization, and Dynamics; Molecular Dynamics; Other Derivative-Based Dynamics Schemes; Other Non-Derivative-Based Schemes; Force Field; Force Field Parameters and Accuracy; Force Field Modifications; Systematic Errors and Biases; Quality of Structures; Future Directions; Acknowledgment; References; Computer-Assisted Methods in the Evaluation of Chemical Toxicity; Introduction; Computer-Based Methods for Toxicity Evaluation; Quantitative Structure-Activity Relationship |
Pattern Recognition Techniques |
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Sommario/riassunto |
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From reviews of the series:'Many of the articles are indeed accessible to any interested nonspecialist, even without theoretical background.'Journal of the American Chemical Society'...an invaluable resource for the serious molecular modeler.' Chemical Design Automation News |
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2. |
Record Nr. |
UNINA9910796100803321 |
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Autore |
Springer David W |
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Titolo |
Treatment of depression in adolescents and adults [[electronic resource] /] / edited by David W. Springer, Allen Rubin, and Christopher G. Beevers |
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Pubbl/distr/stampa |
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Hoboken, N.J., : Wiley, 2011 |
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ISBN |
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1-283-02649-X |
1-118-09475-1 |
1-118-01540-1 |
9786613026491 |
1-118-01538-X |
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Descrizione fisica |
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Collana |
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Clinician's guide to evidence-based practice series ; ; 4 |
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Classificazione |
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493.764 |
493.937 |
616.85/2700835 |
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Altri autori (Persone) |
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RubinAllen |
BeeversChristopher G |
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Disciplina |
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Soggetti |
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Depression in adolescence - Treatment |
Evidence-based medicine |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Includes bibliographical references and indexes |
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Nota di bibliografia |
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Includes bibliographical references and indexes. |
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Sommario/riassunto |
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"Mental health practitioners are increasingly forced to use evidence-based practices by third-party providers. However, studies have shown practitioners rarely use evidence-based practices because of difficulties obtaining training and expertise. This volume in the Clinician's Guide to Evidence-Based Practice Series provides clinicians with a beginning level of understanding in evidence-based practice for depression in a manner that fits clinician time constraints. Forgoing the typical academic approach for a more user-friendly "how-to" and "what-now" style, the book is an easy-to-use and essential resource for practitioners and students-in-training"-- |
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