|
" Many-body effects and electrostatics in biomolecules "
edited by Qiang Cui, Markus Meuwly, Pengyu Ren.
| Document Type
|
:
|
BL
|
| Record Number
|
:
|
777311
|
| Doc. No
|
:
|
b597314
|
| Main Entry
|
:
|
edited by Qiang Cui, Markus Meuwly, Pengyu Ren.
|
| Title & Author
|
:
|
Many-body effects and electrostatics in biomolecules\ edited by Qiang Cui, Markus Meuwly, Pengyu Ren.
|
| Publication Statement
|
:
|
Boca Raton, Florida : Pan Stanford Publishing, 2016. ©2016
|
| Page. NO
|
:
|
(590 pages)
|
| ISBN
|
:
|
9789814613934
|
|
|
:
|
: 9814613932
|
| Contents
|
:
|
Front Cover; Contents; Preface; Section I: QM and QM/MM Methods; Chapter 1: A Modified Divide-and-Conquer Linear-Scaling Quantum Force Field with Multipolar Charge Densities; Chapter 2: Explicit Polarization Theory; Chapter 3: Quantum Mechanical Methods for Quantifying and Analyzing Non-Covalent Interactions and for Force-Field Development; Chapter 4: Force Field Development with Density-Based Energy Decomposition Analysis; Chapter 5: Effective Fragment Potential Method; Section II: Atomistic Models. Chapter 6: Explicit Inclusion of Induced Polarization in Atomistic Force Fields Based on the Classical Drude Oscillator ModelChapter 7: Multipolar Force Fields for Atomistic Simulations; Chapter 8: Status of the Gaussian Electrostatic Model, a Density-Based Polarizable Force Field; Chapter 9: Water Models: Looking Forward by Looking Backward; Chapter 10: Quantum Mechanics-Based Polarizable Force Field for Proteins; Chapter 11: Polarizable Continuum Models for (Bio)Molecular Electrostatics: Basic Theory and Recent Developments for Macromolecules and Simulations. Chapter 12: Differential Geometry-Based Solvation and Electrolyte Transport Models for Biomolecular Modeling: A ReviewSection III: Coarse-Grained Models; Chapter 13: A Physics-Based Coarse-Grained Model with Electric Multipoles; Chapter 14: Coarsed-Grained Membrane Force Field Based on Gay-Berne Potential and Electric Multipoles; Chapter 15: RNA Coarse-Grained Model Theory; Chapter 16: Perspectives on the Coarse-Grained Models of DNA; Back Cover.
|
| Subject
|
:
|
Biomolecules -- Electric properties.
|
| Subject
|
:
|
Quantum theory -- Research.
|
| LC Classification
|
:
|
QC174.17.P7E358 9999
|
| Added Entry
|
:
|
Markus Meuwly
|
|
|
:
|
Pengyu Ren
|
|
|
:
|
Qiang Cui
|
| |