Introduction to Molecular Dynamics (original) (raw)
Related papers
Molecular Dynamics Simulations in Biology , Chemistry and Physics
2003
Introduction fo the molecular dynamic simulation
9. Molecular Dynamics Simulations in Biology, Chemistry and Physics
Molecular Dynamics: Survey of Methods for Simulating the Activity of Proteins
Chemical Reviews, 2006
Classical Reactive Molecular Dynamics Implementations: State of the Art
ChemPhysChem, 2012
Perspectives on: Molecular dynamics and computational methods
Journal of General Physiology, 2010
Current State-of-the-Art Molecular Dynamics Methods and Applications
Advances in protein chemistry and structural biology, 2014
Introduction to Molecular Dynamics Simulation
Reactive Molecular Dynamics: Numerical Methods and Algorithmic Techniques
SIAM Journal on Scientific Computing, 2012
Modeling and Simulation for Microelectronic Packaging Assembly, 2011
Molecular Simulations as a Unifying Tool in Physics and Chemistry
Molecular dynamics simulations: from structure function relationships to drug discovery
In Silico Pharmacology, 2014
Molecular dynamics simulations: advances and applications
Advances and Applications in Bioinformatics and Chemistry, 2015
Real-World Predictions from Ab Initio Molecular Dynamics Simulations
Multiscale Molecular Methods in Applied Chemistry, 2011
Methods of incorporating quantum mechanical calculations into molecular dynamics simulations
Theoretical and Computational Chemistry, 1999
DynamO: a free calO{\cal O}calO(N) general event-driven molecular dynamics simulator
Journal of Computational Chemistry, 2011
Modeling and Simulating Reactive Molecular Dynamics Using Reaxff
2013
United-Atom Discrete Molecular Dynamics of Proteins Using Physics-Based Potentials
Journal of Chemical Theory and Computation, 2008
Development of models and methods for the molecular simulation of large systems and molecules
2010
A test set for molecular dynamics algorithms
Computational Methods for …, 2002
First-Principles Molecular Dynamics
Handbook of Materials Modeling, 2005
Structure Of Biomolecules Through Molecular Dynamics Simulations
Procedia Computer Science, 2019
Algorithms for Molecular Dynamics Simulations
2006
Aiche Journal, 2021
Kluwer Academic Publishers eBooks, 2005
Journal of Computational Chemistry, 1997
Molecular Dynamics and Related Computational Methods with Applications to Drug Discovery
2016
Molecular simulations: past, present, and future (a Topical Issue in EPJB)
The European Physical Journal B, 2022
Force fields and molecular dynamics simulations
MDAnalysis: A toolkit for the analysis of molecular dynamics simulations
Journal of Computational Chemistry, 2011
Multiscale Science and Engineering
On the Reduction of Molecular Degrees of Freedom in Computer Simulations
Lecture Notes in Physics, 2004