Simulating Enzyme Reactivity
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Published By Royal Society Of Chemistry

9781782624295
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Chapter 12. Ribozymes

2016 ◽  
pp. 404-435 ◽  
Author(s):  
J. Bertran ◽  
A. Oliva

Chapter 10. Nuclear Quantum Effects in Enzymatic Reactions

2016 ◽  
pp. 340-374 ◽  
Author(s):  
Dan Thomas Major ◽  
Reuven Eitan ◽  
Susanta Das ◽  
Anil Mhashal ◽  
Vijay Singh
Keyword(s):  
Quantum Effects ◽  
Enzymatic Reactions ◽  
Nuclear Quantum Effects

Chapter 2. Fundamentals of Enzyme Catalysis: Determination of Rate Constants

2016 ◽  
pp. 31-53
Author(s):  
Richard L. Schowen
Keyword(s):  
Rate Constants ◽  
Enzyme Catalysis

Preface

2016 ◽  
pp. P005-P008

Chapter 3. A Transition State Theory Perspective for Enzymatic Reactions: Fundamentals and Applications

2016 ◽  
pp. 54-88
Author(s):  
James T. Hynes ◽  
Damien Laage ◽  
Iñaki Tuñón ◽  
Vicent Moliner
Keyword(s):  
Transition State ◽  
Transition State Theory ◽  
State Theory ◽  
Enzymatic Reactions

Contents

2016 ◽  
pp. P011-P021

Subject Index

2016 ◽  
pp. 522-535

Chapter 15. Enzyme Design

2016 ◽  
pp. 481-521 ◽  
Author(s):  
Lur Alonso-Cotchico ◽  
Jaime Rodríguez-Guerra ◽  
Agustí Lledós ◽  
Jean-Didier Maréchal
Keyword(s):  
Enzyme Design

Chapter 9. First Principles Methods in Biology: From Continuum Models to Hybrid Ab initio Quantum Mechanics/Molecular Mechanics

2016 ◽  
pp. 294-339 ◽  
Author(s):  
Jens Dreyer ◽  
Giuseppe Brancato ◽  
Emiliano Ippoliti ◽  
Vito Genna ◽  
Marco De Vivo ◽  
...  
Keyword(s):  
Quantum Mechanics ◽  
Ab Initio ◽  
Molecular Mechanics ◽  
First Principles ◽  
Continuum Models
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