My Wish Lists Login / Join

Computational Molecular Dynamics - Challenges, Methods, Ideas : Proceedings of the 2nd International Symposium on Algorithms for Macromolecular Modelling, Berlin, May 21-24, 1997 - P. Deuflhard

Instant online reading.
Don't wait for delivery!
Go digital and save!

Computational Molecular Dynamics - Challenges, Methods, Ideas

Proceedings of the 2nd International Symposium on Algorithms for Macromolecular Modelling, Berlin, May 21-24, 1997

By: P. Deuflhard, J. Hermans, B. Leimkuhler

Write A Review

Paperback | 1 December 1997 | Edition Number 4

At a Glance

Paperback
516 Pages

Dimensions(cm)
22.86 x 15.24 x 2.54

Paperback

$169.00

or 4 interest-free payments of $42.25 with

Ships in 5 to 7 business days

On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics.
The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.

Shipping

	Standard Shipping	Express Shipping
Metro postcodes:	$9.99	$14.95
Regional postcodes:	$9.99	$14.95
Rural postcodes:	$9.99	$14.95

Orders over $0.00 qualify for free shipping.

How to return your order

At Booktopia, we offer hassle-free returns in accordance with our returns policy. If you wish to return an item, please get in touch with Booktopia Customer Care.

Additional postage charges may be applicable.

Defective items

If there is a problem with any of the items received for your order then the Booktopia Customer Care team is ready to assist you.

For more info please visit our Help Centre.

Molecular Dynamics Simulations: The Limits and Beyond	p. 3
Steered Molecular Dynamics	p. 39
Conformational Transitions of Proteins from Atomistic Simulations	p. 66
Conformational Dynamics Simulations of Proteins	p. 78
Computation of Essential Molecular Dynamics by Subdivision Techniques	p. 98
Mathematical Model of the Nucleic Acids Conformational Transitions with Hysteresis over Hydration-Dehydration Cycle	p. 116
Simulation Studies of Protein-Ligand Interactions	p. 129
Estimating Relative Free Energies from a Single Simulation of the Initial State	p. 149
Exploration of Peptide Free Energy Surfaces	p. 163
Prediction of pK[subscript a]s of Titratable Residues in Proteins Using a Poisson-Boltzmann Model of the Solute-Solvent System	p. 176
Exploiting Tsallis Statistics	p. 197
New Techniques for the Construction of Residue Potentials for Protein Folding	p. 212
Some Failures and Successes of Long-Timestep Approaches to Biomolecular Simulations	p. 227
Application of a Stochastic Path Integral Approach to the Computations of an Optimal Path and Ensembles of Trajectories	p. 263
On Some Difficulties in Integrating Highly Oscillatory Hamiltonian Systems	p. 281
Molecular Dynamics in Systems with Multiple Time Scales: Reference System Propagator Algorithms	p. 297
The Five Femtosecond Time Step Barrier	p. 318
Long Time Step MD Simulations Using Split Integration Symplectic Method	p. 332
Comparison of Geometric Integrators for Rigid Body Simulation	p. 349
New Methods in Quantum Molecular Dynamics of Large Polyatomic Systems	p. 365
Table of Contents provided by Blackwell. All Rights Reserved.

Computational Molecular Dynamics - Challenges, Methods, Ideas

Proceedings of the 2nd International Symposium on Algorithms for Macromolecular Modelling, Berlin, May 21-24, 1997

At a Glance

Paperback

Shipping

How to return your order

Defective items

You Can Find This Book In

More in Mathematical Physics

Undergraduate Lecture Notes in Physics

A Practical Guide with Problems and Solutions

Lectures on Theoretical Optics

Graduate Texts in Physics

General Relativity

The Theoretical Minimum

Elements of Topology

Theory and Practice

Noncommutative measures and Orlicz Spaces, with Applications to Quantum Physic

Oxford Graduate Texts in Mathematics

Mathematical Advances in Theoretical Chemistry

Developments in Physical & Theoretical Chemistry

Statistical Physics

An Introductory Course

Gauge Fields, Knots And Gravity

Series on Knots & Everything

Fluid Universe

The Way of Structured Water and its Mathematical Foundations

Abstract Cauchy Problems

Three Approaches

Mathematical Methods for Physics and Engineering

Practical Applications

Darboux Transformation of Nonlinear Schr¶dinger Equations

A Guide and a Tutorial

Scattering of Waves

Theory and Applications

Is Mind Just a Computation?

How Computer Science Dispels the Myths of the Age of AI

Computational Physics Using Python

Computational Physics Using Python

Dynamics and Astrophysics of Galaxies

Princeton Series in Astrophysics

Dynamics and Astrophysics of Galaxies

Princeton Series in Astrophysics

Categorical and Enumerative Aspects of Mirror Symmetry

A Tribute to the Life and Work of Professor Bumsig Kim

Proper Time and Mass as Dynamical Variables

Why it's Possible and Some Consequences

Schur Analysis and Applications to Hypercomplex Analysis, Neural Networks, and Linear Systems

Chapman University, January 2024

Contemporary Theory of Semiconductors and Devices

Semiclassical and Quantum Physical Principles and Applications

Nankai Symposium on Mathematical Dialogues

Celebrating the 110th Anniversary of the birth of Prof. S.-S. Chern

Learning Quantum Mechanics

An Interactive Software Approach for the Non-Mathematician

This product is categorised by