Peptide Solvation and H-bonds, vol 72

Baldwin, Robert 저자(글)

Academic · 2006년 03월 01일

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저자(글) Baldwin, Robert

목차

• 
  New Directions in the Study of Peptide H-Bonds and Peptide Solvation ix
  Potential Functions for Hydrogen Bonds in Protein Structure Prediction and Design
  Alexandre V. Morozov
  Tanja Kortemme
  Introduction 2(2)
  Physical Mechanism of Hydrogen Bond Formation 4(2)
  Main Approaches to Modeling Hydrogen Bonds in Biomolecular Simulations 6(14)
  Applications of Hydrogen Bonding Potentials 20(10)
  Conclusions and Perspectives 30(10)
  References 32(8)
  Backbone-Backbone H-Bonds Make Context-Dependent Contributions to Protein Folding Kinetics and Thermodynamics: Lessons from Amide-to-Ester Mutations
  Evan T. Powers
  Songpon Deechongkit
  Jeffery W. Kelly
  Introduction 40(2)
  Nomenclature and Synthesis of Amide-to-Ester Mutants 42(2)
  Esters as Amide Replacements 44(4)
  Interpretation of Energetic Data from Amide-to-Ester Mutants 48(8)
  Amide-to-Ester Mutations in Studies of Protein Function 56(2)
  Amide-to-Ester Mutations in Studies of Protein Folding Thermodynamics 58(3)
  Analysis of ΔΔGb and ΔΔGf Values from Amide-to-Ester Mutants 61(7)
  Amide-to-Ester Mutations in Studies of Protein Folding Kinetics 68(1)
  Conclusions and Future Directions 69(11)
  References 70(10)
  Modeling Polarization in Proteins and Protein-Ligand Complexes: Methods and Preliminary Results
  Richard A. Friesner
  Introduction 80(1)
  Incorporation of Polarization in Molecular Mechanics Models 81(6)
  Aqueous Solvation Models for Polarizable Simulations 87(2)
  Modeling Polarizability with Mixed Quantum Mechanics/Molecular Mechanics Methods 89(5)
  Protein Simulations in Explicit Solvent Using a Polarizable Force Field 94(4)
  Conclusion 98(7)
  References 99(6)
  Hydrogen Bonds in Molecular Mechanics Force Fields
  Jan Hermans
  Introduction 105(1)
  Geometric Deformation 106(5)
  Nonbonded Interactions 111(5)
  Conclusion 116(6)
  References 117(5)
  Resonance Character of Hydrogen-Bonding Interactions in Water and Other H-Bonded Species
  F. Weinhold
  Introduction 122(3)
  Natural Bond Orbital Donor-Acceptor Description of H-Bonding 125(6)
  Quantum Cluster Equilibrium Theory of H-Bonded Fluids 131(7)
  Recent Experimental Advances in Determining Water Coordination Structure 138(3)
  General Enthalpic and Entropic Principles of H-Bonding 141(4)
  Hydrophobic Solvation: A Cluster Equilibrium View 145(4)
  Summary and Conclusions: The Importance of Resonance in H-Bonding and Its Possible Representation by Molecular Dynamics Simulations 149(8)
  References 150(7)
  How Hydrogen Bonds Shape Membrane Protein Structure
  Stephen H. White
  Introduction 157(2)
  Structure of Fluid Lipid Bilayers 159(1)
  Energetics of Peptides in Bilayers 160(5)
  Helix-Helix Interactions in Bilayers 165(2)
  Perspectives 167(7)
  References 167(7)
  Peptide and Protein Folding and Conformational Equilibria: Theoretical Treatment of Electrostatics and Hydrogen Bonding with Implicit Solvent Models
  Wonpil Im
  Jianhan Chen
  Charles L. Brooks, III
  Introduction 174(2)
  Generalized Born (GB) Models 176(8)
  Peptide Folding and Conformational Equilibria 184(6)
  Concluding Discussion 190(9)
  References 192(7)
  Thermodynamics of α-Helix Formation
  George I. Makhatadze
  First 50 Years of Study of the Thermodynamics of the Helix--Coil Transition 199(6)
  The Quest for Enthalpy of the Helix--Coil Transition 205(8)
  Temperature Dependence of Enthalpy of the Helix--Coil Transition 213(2)
  Thermodynamic Helix Propensity Scale: Importance of Peptide Backbone Hydration 215(1)
  Other Instances When Peptide Backbone Hydration is Important for Stability 216(2)
  Future Directions 218(10)
  References 220(8)
  The Importance of Cooperative Interactions and a Solid-State Paradigm to Proteins: What Peptide Chemists Can Learn from Molecular Crystals
  J. J. Dannenberg
  Introduction 228(1)
  Similarities and Differences Between Proteins/Peptides and Molecular Crystals 229(2)
  The Importance of H-Bond Cooperativity in Molecular Crystals 231(3)
  Structural Consequences of H-Bond Cooperativity in Molecular Crystals 234(6)
  How Does the Use of the Crystal Paradigm Affect Protein/Peptide Study? 240(2)
  Are H-Bonds Electrostatic? 242(1)
  How Strong are Peptide H-Bonds? 243(12)
  Comparison with Experimental Data from Studies in Solution 255(2)
  The Importance of a Suitable Reference State(s) 257(3)
  How Protein Chemists Can Deal with Problems Posed by Dual Paradigms 260(3)
  Water, the Hydrophobic Effect and Entropy 263(4)
  Concluding Remarks 267(8)
  References 267(8)
  Author Index 275(16)
  Subject Index 291

기본정보

ISBN	9780120342723 ( 0120342723 )
발행(출시)일자	2006년 03월 01일
쪽수	준비중