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- Molecular Dynamics - A tutorial published by the Center for Molecular Modeling of the U.S. National Institutes of Health.
- Molecular Dynamics and Nanotechnology Tutorial Overheads - Analytic Potentials and Molecular Dynamics Simulation by Donald W. Brenner. Part of the tutorial on Critical Enabling Technologies for Nanotechnology, Fifth Foresight Conference on Molecular Nanotechnology, November 5, 1997.
- NAMD Scalable Molecular Dynamics - NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.
- Molecular Dynamics - Focuses on parallel molecular dynamics: algorithms, benchmark timings, codes and simulation results. Includes several article references.
- AMMP- Molecular Dynamics, Structural Bioinformatics at Georgia State. - AMMP is a modern full-featured molecular mechanics, dynamics and modeling program
- The Fritz Haber Center for Molecular Research - The primary objectives of the center are to support research in molecular dynamics and encourage cooperation between German and Israeli scientists. The center supports theoretical researches in all branches of chemical physics and biophysics.
- Computational Chemistry List - A resource for computational chemists. Discussions on chemistry software, data, conferences, jobs, quantum chemistry, molecular mechanics, molecular dynamics, QSAR, molecular graphics, molecular modeling, and associated archives
- Journal of Computer-Aided Molecular Design - Publishes articles on the theory and the application of computer-based methods in the analysis and design of molecules. This includes theoretical chemistry, computational chemistry, computer and molecular graphics, molecular modeling, protein engineering, drug design, expert systems, general structure-property relationships, molecular dynamics, and chemical database development and usage.
- The MD Group - The MD Group is concerned with molecular and mesoscopic dynamics simulation studies of complex biomolecular systems such as biopolymers and lipid aggregates.
- Seascape Learning! - Seascape offers computational chemistry and biology software/services including molecular dynamics calculations.
Wikipedia Articles
- Visual Molecular Dynamics - Visual molecular dynamics (VMD) is a molecular modelling and visualization computer program. VMD is primarily developed as a tool for viewing and analyzing the results of molecular dynamics simulations, but it also includes tools for working with volumetric data, sequence data, and arbitrary graphics objects.
- Car-Parrinello Molecular Dynamics - The Car-Parrinello Molecular Dynamics, better known as CPMD, is a package for performing ab-initio quantum mechanical molecular dynamics (MD) using pseudopotentials and a plane wave basis set. This code is a parallelized implementation of Density functional theory.
- Molecular dynamics - Molecular dynamics (MD) is a form of computer simulation wherein atoms and molecules are allowed to interact for a period of time under known laws of physics,
- Monte Carlo molecular modeling - Monte Carlo molecular modeling is the application of Monte Carlo methods to molecular problems. These problems can also be modeled by the molecular dynamics method.
- Brownian dynamics - Brownian dynamics (BD) can be used to describe the motion of molecules in molecular simulation. It is a simplified version of Langevin dynamics and corresponds to the limit where no average acceleration takes place during the simulation run.