Computational Electrostatics for Biological Applications: Geometric and Numerical Approaches to the Description of Electrostatic Interaction Between Macromolecules Pdf

Computational Electrostatics for Biological Applications: Geometric and Numerical Approaches to the Description of Electrostatic Interaction Between Macromolecules Pdf
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This book presents established and new approaches to carry out calculations of electrostatic interactions at the nanoscale, with specific concentrate on molecular biology purposes. It’s based mostly on the proceedings of the Computational Electrostatics for Biological Purposes worldwide assembly, which introduced collectively researchers in computational disciplines to talk about and discover numerous strategies to enhance electrostatic calculations. Fostering an interdisciplinary strategy to the description of complicated bodily and organic issues, this book encompasses contributions originating in the fields of geometry processing, form modeling, utilized arithmetic, and computational biology and chemistry. The primary subjects coated are theoretical and numerical points of the answer of the Poisson-Boltzmann equation, surveys and comparability amongst geometric approaches to the modelling of molecular surfaces and associated discretization and computational points. It additionally features a quantity of contributions addressing purposes in biology, biophysics and nanotechnology. The book is primarily meant as a reference for researchers in the computational molecular biology and chemistry fields. As such, it additionally goals at turning into a key supply of info for a variety of scientists who want to understand how modeling and computing at the molecular degree might affect the design and interpretation of their experiments.

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