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Molecular mechanics and modeling / Priscilla Watkins, editor.

Contributor(s): Material type: TextTextSeries: Chemistry research and applications seriesPublisher: New York : Nova Science Publishers, Inc., [2015]Description: 1 online resourceContent type:
  • text
Media type:
  • computer
Carrier type:
  • online resource
ISBN:
  • 9781634834698
  • 1634834690
Subject(s): Genre/Form: Additional physical formats: Print version:: Molecular mechanics and modelingDDC classification:
  • 660 23
LOC classification:
  • TP145
Online resources:
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
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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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