Molecular mechanics and modeling / Priscilla Watkins, editor.
Material type: TextSeries: Chemistry research and applications seriesPublisher: New York : Nova Science Publishers, Inc., [2015]Description: 1 online resourceContent type:- text
- computer
- online resource
- 9781634834698
- 1634834690
- 660 23
- TP145
Includes bibliographical references and index.
Description based on print version record.
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
English.
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