Computational Modeling of Membrane Bilayers

Computational Modeling of Membrane Bilayers
Author: V. Sundararajan
Publisher: Academic Press
Total Pages: 493
Release: 2011-08-29
Genre: Science
ISBN: 0080879705

Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. *Discusses the current stat of electrostatics in biomolecular simulations and future directions *Includes information on time and length scales in lipid bilayer simulations *Includes a chapter on the nature of lipid rafts

Computational Modeling of Biological Systems

Computational Modeling of Biological Systems
Author: Nikolay V Dokholyan
Publisher: Springer Science & Business Media
Total Pages: 360
Release: 2012-02-12
Genre: Science
ISBN: 1461421454

Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.

Biomembrane Simulations

Biomembrane Simulations
Author: Max L. Berkowitz
Publisher: CRC Press
Total Pages: 334
Release: 2019-04-30
Genre: Science
ISBN: 1351060295

Due to recent advancements in the development of numerical algorithms and computational hardware, computer simulations of biological membranes, often requiring use of substantial computational resources, are now reaching a mature stage. Since molecular processes in membranes occur on a multitude of spatial and time scales, molecular simulations of membranes can also serve as a testing ground for use of multi-scale simulation techniques. This book addresses some of the important issues related to understanding properties and behavior of model biological membranes and it Shows how simulations improve our understanding of biological membranes and makes connections with experimental results. Presents a careful discussion of the force fields used in the membrane simulations including detailed all-atom fields and coarse-grained fields. Presents a continuum description of membranes. Discusses a variety of issues such as influence of membrane surfaces on properties of water, interaction between membranes across water, nanoparticle permeation across the membrane, action of anesthetics and creation of inhomogeneous regions in membranes. Discusses important methodological issues when using simulations to examine phenomena such as pore creation and permeation across membranes. Discusses progress recently achieved in modeling bacterial membranes. It will be a valuable resource for graduate students, researchers and instructors in biochemistry, biophysics, pharmacology, physiology, and computational biology.

Computational Modeling in Biological Fluid Dynamics

Computational Modeling in Biological Fluid Dynamics
Author: Lisa J. Fauci
Publisher: Springer Science & Business Media
Total Pages: 250
Release: 2012-12-06
Genre: Mathematics
ISBN: 1461301513

This IMA Volume in Mathematics and its Applications COMPUTATIONAL MODELING IN BIOLOGICAL FLUID DYNAMICS is based on the proceedings of a very successful workshop with the same title. The workshop was an integral part of the September 1998 to June 1999 IMA program on "MATHEMATICS IN BIOLOGY." I would like to thank the organizing committee: Lisa J. Fauci of Tulane University and Shay Gueron of Technion - Israel Institute of Technology for their excellent work as organizers of the meeting and for editing the proceedings. I also take this opportunity to thank the National Science Founda tion (NSF), whose financial support of the IMA made the Mathematics in Biology program possible. Willard Miller, Jr., Professor and Director Institute for Mathematics and its Applications University of Minnesota 400 Lind Hall, 207 Church St. SE Minneapolis, MN 55455-0436 612-624-6066, FAX 612-626-7370 [email protected] World Wide Web: http://www.ima.umn.edu v PREFACE A unifying theme in biological fluid dynamics is the interaction of moving, elastic boundaries with a surrounding fluid. A complex dynami cal system describes the motion of red blood cells through the circulatory system, the movement of spermatazoa in the reproductive tract, cilia of microorganisms, or a heart pumping blood. The revolution in computa tional technology has allowed tremendous progress in the study of these previously intractable fluid-structure interaction problems.

Computational Modeling of Membrane Bilayers

Computational Modeling of Membrane Bilayers
Author: V. Sundararajan
Publisher: Academic Press
Total Pages: 493
Release: 2011-08-29
Genre: Science
ISBN: 0080920500

Current Topics in Membranes provides a systematic, comprehensive, and rigorous approach to specific topics relevant to the study of cellular membranes. Each volume is a guest edited compendium of membrane biology. Discusses the current state of electrostatics in biomolecular simulations and future directions Includes information on time and length scales in lipid bilayer simulations Includes a chapter on the nature of lipid rafts

Dynamics of Engineered Artificial Membranes and Biosensors

Dynamics of Engineered Artificial Membranes and Biosensors
Author: William Hoiles
Publisher: Cambridge University Press
Total Pages: 476
Release: 2018-05-03
Genre: Technology & Engineering
ISBN: 1108534635

Learn about the state of the art in building artificial membranes and synthetic biological devices, and in constructing mathematical models for their dynamics at multiple time and spatial scales with this comprehensive book. Drawing on recent advances in bioengineering and biochemistry, it describes how to engineer tethered bilayer lipid membranes, bioelectronic interfaces, high-resolution biosensors, and diagnostic devices for non-invasive cellular measurements and electroporation. Multi-physics models combining atomistic (molecular dynamics and coarse-grained molecular dynamics), mesoscopic (Poisson–Nernst–Planck), and macroscopic (reaction-rate theory) dynamics provide a complete structure-to-function description of these devices. Experiments and dynamic models explain how anti-microbial peptides penetrate membranes, how molecular machine biosensors built out of artificial membranes can detect femtomolar concentrations, and how electroporation can be controlled. Supported by atomistic simulation code online, this is essential reading for researchers, students and professionals in bioengineering, chemical engineering, biophysics, applied mathematics, and electrical engineering.

Computational Modeling: From Chemistry To Materials To Biology - Proceedings Of The 25th Solvay Conference On Chemistry

Computational Modeling: From Chemistry To Materials To Biology - Proceedings Of The 25th Solvay Conference On Chemistry
Author: Kurt Wuthrich
Publisher: World Scientific
Total Pages: 372
Release: 2020-12-21
Genre: Science
ISBN: 9811228221

Chaired by K Wüthrich (Nobel Laureate in Chemistry, 2002) and co-chaired by B Weckhuysen, this by-invitation-only conference has gathered 39 participants — who are leaders in the field of computational modeling and its applications in Chemistry, Material Sciences and Biology. Highlights of the Conference Proceedings are short, prepared statements by all the participants and the records of lively discussions on the current and future perspectives in the field of computational modeling, from chemistry to materials to biology.

Computational Modeling of Biological Systems

Computational Modeling of Biological Systems
Author: Nikolay V Dokholyan
Publisher: Springer Science & Business Media
Total Pages: 360
Release: 2012-02-10
Genre: Science
ISBN: 1461421462

Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.