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338 Database entries




Ratings:    3  votes

HOOMD

HOOMD-blue stands for Highly Optimized Object-oriented Many-particle Dynamics -- Blue Edition


Ratings:    3  votes

TINKER

Software Tools for Molecular Design.


Ratings:    4  votes

GULP

GULP is a program for performing a variety of types of simulation on materials using boundary conditions of 0-D (molecules and clusters), 1-D (polymers), 2-D (surfaces, slabs and grain boundaries), or 3-D (periodic solids).


Ratings:    4  votes

Abalone

Biomolecular dynamics simulations of proteins, DNA, ligands.


Ratings:    1  votes

Zodiac

Zodiac is a molecular modelling suite for computation, analysis and display of molecular data.


Ratings:    2  votes

Hippo

Hippo is a software package for simulation and analysis of bio-molecules at an atomic level. It has been specifically developed for very efficient protein folding studies in aqueous and membrane environments.


Ratings:    12  votes

DL_POLY

DL_POLY is a general purpose serial and parallel molecular dynamics simulation package.


Ratings:    3  votes

ghemical

Ghemical is computational chemistry package.


Ratings:    0  votes

AmberFFC

AmberFFC creates the AMBER & GLYCAM FF for the Accelrys molecular mechanics modules.


Ratings:    0  votes

MCCCS_Towhee

Towhee is a Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields and the Gibbs ensemble with particular attention paid to algorithms addressing molecule conformation sampling.


Ratings:    0  votes

MMC

MMC is a Metropolis Monte Carlo program for the simulation of molecular assemblies in the canonical, grand-canonical and isothermal-isobaric ensembles.


Ratings:    0  votes

Simulaid

Simulaid will help you for the description of the interaction energy terms, of the molecules in the system and of the boundary conditions.


Ratings:    0  votes

AutoDock

AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure.


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