عنوان

Many-body effects and electrostatics in biomolecules

شابک

9789814613934

شابک

9814613932

شماره

b597314

عنوان اصلي

Many-body effects and electrostatics in biomolecules

نام عام مواد

[Book]

نام نخستين پديدآور

edited by Qiang Cui, Markus Meuwly, Pengyu Ren.

محل نشرو پخش و غیره

Boca Raton, Florida

نام ناشر، پخش کننده و غيره

Pan Stanford Publishing

تاریخ نشرو بخش و غیره

2016. ©2016

نام خاص و کميت اثر

(590 pages)

متن يادداشت

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.

موضوع مستند نشده

Biomolecules -- Electric properties.

موضوع مستند نشده

Quantum theory -- Research.

شماره رده

نشانه اثر

مستند نام اشخاص تاييد نشده

edited by Qiang Cui, Markus Meuwly, Pengyu Ren.

مستند نام اشخاص تاييد نشده

Markus Meuwly

مستند نام اشخاص تاييد نشده

Pengyu Ren

مستند نام اشخاص تاييد نشده

Qiang Cui

نام الکترونيکي

نوع ماده

[Book]

تكميل شده

Y