Analysis of potential membrane disruption and stability of antimicrobial cationic peptides by molecular dynamics simulations
-
Updated
Aug 6, 2014 - Shell
Molecular dynamics allows the atoms and molecules to interact for a fixed period of time, giving a view of the dynamic "evolution" of the system.
Analysis of potential membrane disruption and stability of antimicrobial cationic peptides by molecular dynamics simulations
Ionic Dynamics on GPU (variant of atomistic simulation for ionic crystals like UO2, CaF2, etc.)
MD simulation for a coarse grained DNA model, parallelized by OpenMP
Project 1 on the mechanical properties of Nano Wires under compression
course project for HPPC
Gromacs local stress code forked from https://bitbucket.org/mdstresslib/gromacs-ls-4.5.5
Physics&Chemistry Dissertation
Amber force field parameters (based on ff99) for tRNAs
Bioinformatics: In this project tarabytes size unstructured to semi-structured molecular dynamics (MD) trajectory data files are converted to more meaningful structured data.
Benchmarking MDAnalysis with dask.
A bash toolkit for building a confined protein system
A local stress calculation library for molecular dynamics simulations written in C++11
A simple Lennard-Jones molecular dynamics software (simplification of SimpleMD)
Command files needed to install LigParGen locally
A Python module to manipulate the ".gro" coordinate file of GROMACS
SIMTization and SIMDization of neighbor list construction for molecular dynamics simulations
Data Analysis of MD Simulation
This Repo will contain Assignments and Project for course Molecular dynamics and simulations.
MD outputs analysis, CRYSTAL14 output handling