New algorithms for macromolecular simulation
Leimkuhler, B.
editor
Chipot, Christophe
editor
Elber, Ron
Laaksonen, Aatto
editor
Mark, Alan
editor
Shlick, Tamar
editor
Schütte, Christof
editor
Skeel, Robert
editor
text
bibliography
conference publication
gw
Berlin
New York
Springer
c2006
2006
monographic
eng
xvi, 362 pages : illustrations ; 24 cm.
Molecular simulation is a widely used tool in biology, chemistry, physics and engineering. This book contains a collection of articles by leading researchers who are developing new methods for molecular modelling and simulation. Topics addressed here include: multiscale formulations for biomolecular modelling, such as quantum-classical methods and advanced solvation techniques; protein folding methods and schemes for sampling complex landscapes; membrane simulations; free energy calculation; and techniques for improving ergodicity. The book is meant to be useful for practitioners in the simulation community and for those new to molecular simulation who require a broad introduction to the state of the art.
Membrane Protein Simulations: Modelling a Complex Environment -- The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method -- Implicit Solvent Electrostatics in Biomolecular Simulation.
Benedict Leimkuhler ... [Y siete más].
Includes bibliographical references.
Macromolecules
Computer simulation
Congresses
Macromoléculas
Simulación por computadores
Congresos
547.70113
Lecture notes in computational science and engineering ; 49
9783540255420
http://www.loc.gov/catdir/enhancements/fy0663/2005932829-d.html
http://www.loc.gov/catdir/enhancements/fy0663/2005932829-d.html
BYT
050824
20171005051939.0
14085732