Computational approaches to biochemical reactivity / (Αριθ. εγγραφής 138207)
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| fixed length control field | 03154cam a2200373Ka 4500 |
| 001 - CONTROL NUMBER | |
| control field | ocm50174976 |
| 003 - CONTROL NUMBER IDENTIFIER | |
| control field | GR-PaULI |
| 005 - DATE AND TIME OF LATEST TRANSACTION | |
| control field | 20220105124516.0 |
| 006 - FIXED-LENGTH DATA ELEMENTS--ADDITIONAL MATERIAL CHARACTERISTICS | |
| fixed length control field | m o d |
| 007 - PHYSICAL DESCRIPTION FIXED FIELD--GENERAL INFORMATION | |
| fixed length control field | cr cn||||||||| |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION | |
| fixed length control field | 020520s2002 nyua ob 001 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 0306469340 |
| Qualifying information | (electronic bk.) |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER | |
| International Standard Book Number | 9780306469343 |
| Qualifying information | (electronic bk.) |
| 040 ## - CATALOGING SOURCE | |
| Original cataloging agency | N$T |
| Language of cataloging | gre |
| Description conventions | AACR2 |
| Transcribing agency | N$T |
| Modifying agency | OCLCQ |
| -- | YDXCP |
| -- | OCLCQ |
| -- | TUU |
| -- | OCLCQ |
| -- | TNF |
| -- | TULIB |
| -- | OCLCQ |
| -- | OCLCF |
| -- | IDEBK |
| -- | GW5XE |
| -- | OCLCQ |
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| -- | OCLCQ |
| -- | MWM |
| -- | SUR |
| -- | UAB |
| -- | OCLCQ |
| -- | SAV |
| -- | QT7 |
| -- | COD |
| -- | GR-PaULI |
| 082 04 - DEWEY DECIMAL CLASSIFICATION NUMBER | |
| Classification number | 572/.44/015118 |
| Edition number | 21 |
| 245 00 - TITLE STATEMENT | |
| Title | Computational approaches to biochemical reactivity / |
| Statement of responsibility, etc. | edited by Gábor Náray-Szabó and Arieh Warshel. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) | |
| Place of publication, distribution, etc. | New York : |
| Name of publisher, distributor, etc. | Kluwer Academic, |
| Date of publication, distribution, etc. | c2002. |
| 300 ## - PHYSICAL DESCRIPTION | |
| Extent | 1 ηλεκτρονική πηγή (x, 379 σ.) : |
| Other physical details | εικ. |
| 490 0# - SERIES STATEMENT | |
| Series statement | Understanding chemical reactivity ; |
| Volume/sequential designation | volume 19 |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE | |
| Bibliography, etc | Περιλαμβάνει βιβλιογραφικές παραπομπές και ευρετήριο. |
| 505 0# - FORMATTED CONTENTS NOTE | |
| Formatted contents note | Preface -- 1. Quantum Mechanical Models for Reactions in Solution -- 2. Free Energy Perturbation Calculations within Quantum Mechanical Methodologies -- 3. Hybrid Potentials for Molecular Systems in the Condensed Phase -- 4. Molecular Mechanics and Dynamics Simulations of Enzymes -- 5. Electrostatic Interactions in Proteins -- 6. Electrostatic Basis of Enzyme Catalysis -- 7. On the Mechanisms of Proteinases -- 8. Modelling of Proton Transfer Reactions in Enzymes -- 9. Protein-Ligand Interactions -- Subject Index. |
| 520 ## - SUMMARY, ETC. | |
| Summary, etc. | This book summarises recent results in the rapidly developing discipline of the computational aspects of biochemical reactivity. It presents a comprehensive and critical treatise on the subject, with numerous references covering practically all relevant and recent work. The chapters, written by eminent experts in the field, deal with quantum mechanical models for reactions in solution, ab initio molecular orbital studies on enzymatic reactions, combined quantum-classical models for proteins, force field approaches for modelling enzymes, electrostatic effects in proteins, electrostatic basis of enzyme catalysis, the mechanism of proteases, modelling of proton transfer reactions in enzymes and protein-ligand interactions. Audience: This volume will be of interest to graduate students and researchers working in molecular biophysics, structural biology or structure-based molecular design. |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Βιοχημεία |
| General subdivision | Μαθηματικά μοντέλα |
| 9 (RLIN) | 189204 |
| 650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Enzyme kinetics. |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Κβαντική βιοχημεία |
| 9 (RLIN) | 189205 |
| 650 #4 - SUBJECT ADDED ENTRY--TOPICAL TERM | |
| Topical term or geographic name as entry element | Προσδέτης (Βιοχημεία) |
| 9 (RLIN) | 149154 |
| 655 #0 - INDEX TERM--GENRE/FORM | |
| Genre/form data or focus term | Ηλεκτρονικά βιβλία |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Náray-Szabó, Gábor |
| 9 (RLIN) | 189206 |
| Relator term | επιμελητής |
| 700 1# - ADDED ENTRY--PERSONAL NAME | |
| Personal name | Warshel, Arieh, |
| 9 (RLIN) | 189207 |
| Dates associated with a name | 1940- |
| Relator term | επιμελητής |
| 776 08 - ADDITIONAL PHYSICAL FORM ENTRY | |
| Relationship information | Έντυπη έκδοση |
| Title | Computational approaches to biochemical reactivity. |
| Place, publisher, and date of publication | New York : Kluwer Academic, c2002 |
| International Standard Book Number | 0792345126 |
| 856 40 - ELECTRONIC LOCATION AND ACCESS | |
| Uniform Resource Identifier | http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=67552 |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) | |
| Source of classification or shelving scheme | Dewey Decimal Classification |
| Koha item type | Electronic Resource |
| 998 ## - LOCAL CONTROL INFORMATION (RLIN) | |
| Cataloger's initials, CIN (RLIN) | ΓΚΟΓΚΟΥ |
| First Date, FD (RLIN) | 2022-01 |
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