Korte beschrijving: In this thesis, all the subjects mentioned in the previous section are revised, except neighbor searching and integration. So, the following subjects are discussed: non-bonded force calculations, bonded force calculations, constraint dynamics, and box shapes. Moreover, mapping M.D. simulation on a parallel computer with a ring architecture is discussed. Zie: Chapter
For the purpose of molecular dynamics simulations of large biopolymers we have developed a new metho...
Molecular Dynamics simulation is a computer simulation in which particles are allowed to interact fo...
Computer simulation of proteins in aqueous solution at the atomic level of resolution is still limit...
Korte beschrijving: In this thesis, all the subjects mentioned in the previous section are revised, ...
A notation is introduced and used to transform a conventional specification of the non-bonded force ...
A notation is introduced and used to transform a conventional specification of the non-bonded force ...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
A new algorithm for calculating intermolecular pair forces in molecular dynamics (MD) simulations on...
A highly efficient procedure for calculating forces in a molecular dynamics simulation on a vector c...
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the ...
Second and revised edition Understanding Molecular Simulation: From Algorithms to Applications ex...
.ABSTRACT: Application of molecular dynamics MD simulations to large systems, such as biological mac...
Multiscale techniques bridge what is often mutually excluding in computer models: accuracy and effic...
The objective of this review is to serve as an introductory guide for the non-expert to the exciting...
Nowadays, the computer simulation methods are powerful tools to understand and to predict the macro...
For the purpose of molecular dynamics simulations of large biopolymers we have developed a new metho...
Molecular Dynamics simulation is a computer simulation in which particles are allowed to interact fo...
Computer simulation of proteins in aqueous solution at the atomic level of resolution is still limit...
Korte beschrijving: In this thesis, all the subjects mentioned in the previous section are revised, ...
A notation is introduced and used to transform a conventional specification of the non-bonded force ...
A notation is introduced and used to transform a conventional specification of the non-bonded force ...
Copyright: © 2015 Materials Research SocietyThis article discusses novel algorithms for molecular-dy...
A new algorithm for calculating intermolecular pair forces in molecular dynamics (MD) simulations on...
A highly efficient procedure for calculating forces in a molecular dynamics simulation on a vector c...
Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the ...
Second and revised edition Understanding Molecular Simulation: From Algorithms to Applications ex...
.ABSTRACT: Application of molecular dynamics MD simulations to large systems, such as biological mac...
Multiscale techniques bridge what is often mutually excluding in computer models: accuracy and effic...
The objective of this review is to serve as an introductory guide for the non-expert to the exciting...
Nowadays, the computer simulation methods are powerful tools to understand and to predict the macro...
For the purpose of molecular dynamics simulations of large biopolymers we have developed a new metho...
Molecular Dynamics simulation is a computer simulation in which particles are allowed to interact fo...
Computer simulation of proteins in aqueous solution at the atomic level of resolution is still limit...