Reviews in computational chemistry. Volume 28 /

• Other Authors: Parrill, Abby L. (Editor), Lipkowitz, Kenny B. (Editor)
• Format: eBook
• Language: English
• Published: Hoboken, NJ : Wiley, 2015.
• Series: Reviews in Computational Chemistry
• Subjects: Chemistry > Data processing.; Chemistry > Mathematics.; Chemistry > Mathematics > Periodicals.; SCIENCE > Chemistry > Clinical.; Electronic books.
• Item Description: Chapter 5 Kinetic Monte Carlo Simulation of Electrochemical Systems.
• Physical Description: 1 online resource (570 pages).
• Bibliography: ReferencesChapter 2 Polarizable Force Fields for Biomolecular Modeling; Introduction; Modeling Polarization Effects; Induced Dipole Models; Classic Drude Oscillators; Fluctuating Charges; Recent Developments; AMOEBA; SIBFA; NEMO; CHARMM-Drude; CHARMM-FQ; X-Pol; PFF; Applications; Water Simulations; Ion Solvation; Small Molecules; Proteins; Lipids; Continuum Solvents for Polarizable Biomolecular Solutes; Macromolecular X-ray Crystallography Refinement; Prediction of Organic Crystal Structure, Thermodynamics, and Solubility; Summary; Acknowledgment; References.
• ISBN: 9781118889886; 1118889886; 9781118889817; 1118889819; 9781118889930; 1118889932
• DOI: 10.1002/9781118889886

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 28 include: Free-energy Calculations with Metadynamics Polarizable Force Fields for Biomolecular Modeling Modeling Protei.