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VMD - Visual Molecular Dynamics


Quantum Aether Dynamics: A New Foundation for Physics


Molecular Dynamics Simulations of Amphiphilic Macromolecules at Interfaces by Selina Nawaz, University of Manchester.


This image shows the molecular configuration of a simulated ultrastable glass. The purple and greenish-blue spheres represent two different types of atoms (phosphorus and nickel, respectively) that were introduced onto the substrate (the pink spheres) a few at a time in a molecular dynamics simulation, mimicking the vapor deposition process as it occurs in laboratory experiments. Credit: Ivan Lyubimov/University of Chicago


Andrew McCammon: Molecular Dynamics and Drug discovery

SMD simulation of Y211A mutation in machupo virus GP1 // Molecular dynamics simulation


25. Statistical Foundation for Molecular Dynamics Simulation

ICME Workshop: Molecular Dynamics witl LAMMPS by Andrew Ferguson

Molecular dynamics-based refinement and validation for sub-5 Å cryo-electron microscopy maps Figure 1.