MARC details
| 000 -LEADER |
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| fixed length control field |
03862nam a22003017a 4500 |
| 003 - CONTROL NUMBER IDENTIFIER |
|---|
| control field |
ZW-GwMSU |
| 005 - DATE AND TIME OF LATEST TRANSACTION |
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| control field |
20200624162302.0 |
| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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| fixed length control field |
200316b ||||| |||| 00| 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
|---|
| International Standard Book Number |
0444502920 |
| 040 ## - CATALOGING SOURCE |
|---|
| Language of cataloging |
English |
| Transcribing agency |
MSU |
| Description conventions |
rda |
| 041 ## - |
|---|
| -- |
eng |
| 050 ## - LIBRARY OF CONGRESS CALL NUMBER |
|---|
| Classification number |
QD415.E75 THE |
| 245 ## - TITLE STATEMENT |
|---|
| Title |
Theoretical biochemistry: |
| Remainder of title |
processes and properties of biological systems |
| Statement of responsibility, etc |
edited by Leif A Eriksson |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
|---|
| Place of publication, distribution, etc |
Amsterdam |
| Name of publisher, distributor, etc |
Elsevier |
| Date of publication, distribution, etc |
2001 |
| 300 ## - PHYSICAL DESCRIPTION |
|---|
| Extent |
704 pages |
| Dimensions |
24 cm. |
| 336 ## - CONTENT TYPE |
|---|
| Source |
rdacontent |
| content type term |
text |
| 337 ## - MEDIA TYPE |
|---|
| source |
rdamedia |
| media type term |
unmediated |
| media type code |
n |
| 338 ## - CARRIER TYPE |
|---|
| source |
rdacarrier |
| carrier type term |
volume |
| carrier type code |
nc |
| 490 ## - SERIES STATEMENT |
|---|
| Series statement |
Theoretical and computational chemistry |
| Volume number/sequential designation |
9 |
| International Standard Serial Number |
13807323 |
| 504 ## - BIBLIOGRAPHY, ETC. NOTE |
|---|
| Bibliography, etc |
Includes index. |
| 505 ## - FORMATTED CONTENTS NOTE |
|---|
| Formatted contents note |
Chapter - 1 The Structure and Function of Blue Copper Proteins, Chapter - 2 Myoglobin / D. Karancsi-Menyhard, G. Keseru, G. Naray-Szabo, Chapter - 3 Mechanisms for Enzymatic Reactions Involving Formation or Cleavage of O-O Bonds / P. E. M. Siegbahn, M. R. A. Blomberg, Chapter - 4 Catalytic Reactions of Radical Enzymes / F. Himo, L. A. Eriksson, Chapter - 5 Theoretical Studies of Coenzyme B[subscript 12]-Dependent Carbon-Skeleton Rearrangements / D. M. Smith, S. D. Wetmore, L. Radom, Chapter - 6 Simulations of Enzymatic Systems: Perspectives from Car-Parrinello Molecular Dynamics Simulations / P. Carloni, U. Rothlisberger, <br/>Chapter - 7 Computational Enzymology: Protein Tyrosine Phosphatase Reactions / K. Kolmodin, V. Luzhkov, J. Aqvist, Chapter- 8 Monte Carlo Simulations of HIV-1 Protease Binding Dynamics and Thermodynamics with Ensembles of Protein Conformations: Incorporating Protein Flexibility in Deciphering Mechanisms of Molecular Recognition [et al.] / G. M. Verkhivker, D. Bouzida, D. K. Gehlhaar, Chapter - 9 Modelling G-Protein Coupled Receptors / C. Higgs, C. A. Reynolds, Chapter - 10 Protein-DNA Interactions in the Initiation of Transcription: The Role of Flexibility and Dynamics of the TATA Recognition Sequence and the TATA Box Binding Protein / N. Pastor, H. Weinstein, Chapter - 11 A Multi-Component Model for Radiation Damage to DNA from its Constituents / S. D. Wetmore, L. A. Eriksson, R. J. Boyd, Chapter - 12 New Computational Strategies for the Quantum Mechanical Study of Biological Systems in Condensed Phases [et al.] / C. Adamo, M. Cossi, N. Rega, Chapter - 13 Modelling Enzyme-Ligand Interactions / M. J. Ramos, A. Melo, E. S. Henriques, Chapter - 14 The QM/MM Approach to Enzymatic Reactions / A. J. Mulholland, Chapter - 15 Quinones and Quinoidal Radicals in Photosynthesis / R. A. Wheeler, Author Index, Subject Index |
| 520 ## - SUMMARY, ETC. |
|---|
| Summary, etc |
Theoretical chemistry has been an area of tremendous expansion and development over the past decade; from an approach where we were able to treat only a few atoms quantum mechanically or make fairly crude molecular dynamics simulations, into a discipline with an accuracy and predictive power that has rendered it an essential complementary tool to experiment in basically all areas of science.<br/><br/>This volume gives a flavour of the types of problems in biochemistry that theoretical calculations can solve at present, and illustrates the tremendous predictive power these approaches possess.<br/><br/>A wide range of computational approaches, from classical MD and Monte Carlo methods, via semi-empirical and DFT approaches on isolated model systems, to Car-Parinello QM-MD and novel hybrid QM/MM studies are covered. The systems investigated also cover a broad range; from membrane-bound proteins to various types of enzymatic reactions as well as inhibitor studies, cofactor properties, solvent effects, transcription and radiation damage to DNA. |
| 650 ## - SUBJECT ADDED ENTRY--TOPICAL TERM |
|---|
| Topical term or geographic name as entry element |
Biochemistry |
| 700 ## - ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Eriksson, Leif A |
| Relator term |
Editor |
| -- |
Department of Quantum Chemistry - Uppsala University 751-20, Uppsala, Sweden. |
| 800 ## - SERIES ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Politzer, P. |
| Relator term |
Editor |
| 800 ## - SERIES ADDED ENTRY--PERSONAL NAME |
|---|
| Personal name |
Maksic, Z B |
| Relator term |
Editor |
| 942 ## - ADDED ENTRY ELEMENTS (KOHA) |
|---|
| Source of classification or shelving scheme |
Library of Congress Classification |
| Koha item type |
Book |