New algorithms for macromolecular simulation /
New algorithms for macromolecular simulation /
Benedict Leimkuhler ... [Y siete más].
- Berlin ; New York : Springer, c2006.
- xvi, 362 pages : illustrations ; 24 cm.
- Lecture notes in computational science and engineering ; 49 .
Includes bibliographical references.
Membrane Protein Simulations: Modelling a Complex Environment -- The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method -- Implicit Solvent Electrostatics in Biomolecular Simulation.
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.
9783540255420
Macromolecules--Computer simulation--Congresses.
Macromoléculas--Simulación por computadores --Congresos
547.70113
Includes bibliographical references.
Membrane Protein Simulations: Modelling a Complex Environment -- The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method -- Implicit Solvent Electrostatics in Biomolecular Simulation.
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.
9783540255420
Macromolecules--Computer simulation--Congresses.
Macromoléculas--Simulación por computadores --Congresos
547.70113