Molecular mechanics and modeling /
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| Imprint: | New York : Nova Science Publishers, Inc., [2015] |
|---|---|
| Description: | 1 online resource. |
| Language: | English |
| Series: | Chemistry Research and Applications Chemistry research and applications series. |
| Subject: | |
| Format: | E-Resource Book |
| URL for this record: | http://pi.lib.uchicago.edu/1001/cat/bib/11249278 |
Table of Contents:
- MOLECULAR MECHANICS AND MODELING; MOLECULAR MECHANICS AND MODELING; Library of Congress Cataloging-in-Publication Data; CONTENTS; PREFACE; Chapter 1: FINITE ELEMENT BASED MULTISCALE MODELING USING THE BRIDGING CELL METHOD; ABSTRACT; 1. INTRODUCTION; 2. REVIEW OF CONCURRENT MULTISCALE METHODS; 3. EXISTING ISSUES; 4. BRIDGING CELL METHOD; 5. PERFORMANCE TESTS; 6. FUTURE DIRECTIONS; CONCLUSION; REFERENCES; Chapter 2: BASIC PROPERTIES OF A MOLECULAR MECHANICS PROGRAM AND THE GENERATION OF UNKNOWN STEREO STRUCTURES OF PROTEINS FOR QUANTITATIVE ANALYSIS OF ENZYME REACTIONS; ABSTRACT; INTRODUCTION
- EXPERIMENTALRESULTS AND DISCUSSION; CONCLUSION; REFERENCES; Chapter 3: QUANTITATIVE IN SILICO ANALYSIS OF ALANINE RACEMASE REACTIVITY; ABSTRACT; INTRODUCTION; EXPERIMENTAL; CONCLUSION; ACKNOWLEDGMENT; REFERENCES; Chapter 4: GRAPHENE LAYER PORE MODELS FOR MOLECULE-SURFACE BINDING ENERGIES; ABSTRACT; 1. INTRODUCTION; 2. THEORY; 3. EXPERIMENT; 4. ANALYSIS AND RESULTS; 5. DISCUSSION; CONCLUSION; ACKNOWLEDGMENT; REFERENCES; INDEX