www.freechemical.info

338 Database entries




Ratings:    1  votes

MOLARIS

ENZYMIX is a macromolecular simulation program + POLARIS is a fast converging computational software based on the Protein Dipoles-Langevin Dipoles approach.


Ratings:    1  votes

Wsearch32

Wsearch32 is a mass spectrometry program that can read over 20 different Mass spectral file formats and is used to display GC/MS data.


Ratings:    4  votes

ALOGPS

ALOGPS is the most accurate program to predict lipophilicity and aqueous solubility of molecules


Ratings:    7  votes

POLYRATE

Computer Program for the Calculation of Chemical Reaction Rates for Polyatomics


Ratings:    4  votes

WODCA

The objective of WODCA is to assist the organic chemist in each step of the synthesis planning process.


Ratings:    1  votes

Maxwell

Maxwell: multipole expansion for condensed phases


Ratings:    0  votes

APBS

Software for evaluating the electrostatic properties of nanoscale biomolecular systems


Ratings:    0  votes

ASAD

ASAD is a software package developed for creating and integrating chemistry schemes in atmospheric models without the need to write any FORTRAN code to solve the chemical rate equations.


Ratings:    0  votes

BIGMAC

Configurational Bias Monte Carlo (CBMC) to compute thermodynamic properties of flexible molecules.


Ratings:    0  votes

Chemicalinventory

Chemicalinventory is a web application that manage the chemical stock in a laboratory-, production- or other facilities, where chemicals must be safely stored, easily found and tracked.


Ratings:    0  votes

ChemSol

ChemSol is designed for the calculations of solvation energies by using Langevin Dipoles (LD) model of the solvent and ab initio calculations.


Ratings:    0  votes

CHIMP

CHIMP aims to provide a complete suite of tools for the investigation and modeling of chemical systems. It currently is able to parse chemical reaction mechanisms and run kinetic Monte Carlo simulations on the reacting system.


Ratings:    0  votes

DelPhi

DelPhi provides numerical solutions to the Poisson-Boltzmann equation (both linear and nonlinear form) for molecules of arbitrary shape and charge distribution.


Ratings:    0  votes

DL_MESO

The DL_MESO Mesoscale Simulation Package


Ratings:    0  votes

EChem

Problem Solving Environment (PSE) in the field of computational electrochemistry.


Ratings:    0  votes

Frowns

Frowns is a chemoinformatics toolkit geared toward rapid development of chemistry related algorithms.


Ratings:    0  votes

GenChemLab

GenChemLab is an OpenGL-based application intended to simulate several common general chemistry exercises.


Ratings:    0  votes

Gibbs

Gibbs-ensemble simulation with cavity-biased insertion


Ratings:    0  votes

GRAMM

Protein-Protein Docking and Protein-Ligand Docking.


Ratings:    0  votes

IPC

Isotopic Pattern Calculator: IPC is a program that calculates the isotopic distribution of a given chemical formula.


Ratings:    0  votes

Kintecus

Kintecus is a powerful Industrial Strength/Research Grade chemical modeling software for simulation of combustion, nuclear, biological, enzyme, atmospheric and many other chemical kinetic and equilibrium processes.


Ratings:    0  votes

laueX

laueX is a program dedicated to the simulation and indexation of Laue diagrams.


Ratings:    0  votes

Lenard-Jones_Gas_Simulation

LENNARD-JONES MOLECULAR DYNAMICS SIMULATION-Noble Gas Simulator


Ratings:    0  votes

LSD

The aim of the LSD program is to find all possible molecular structures of an organic compound that are compatible with its spectroscopic data.


Ratings:    0  votes

massXpert

massXpert is about mass spectrometry


Ratings:    0  votes

Mol_Volume

Calculate macromolecular volume


Ratings:    0  votes

Naccess

Naccess is a stand alone program that calculates the accessible area of a molecule from a PDB (Protein Data Bank) format file.


Ratings:    0  votes

NAMOT

The Nucleic Acid Modeling Tool(NAMOT) is a program to allow users to manipulate molecular models of nucleic acids based on a set of reduced co-ordinates.


Ratings:    0  votes

OpenThermo

OpenThermo is a program package for statistical thermodynamics computations beyond rigid rotor harmonic oscillator approximation (RRHOA), with taking into account internal rotations and vibration anharmonicity.


Ratings:    0  votes

ProtoFit

A Software Package for Analyzing Potentiometric Titration Data and Optimizing Surface Protonation Models.


Ratings:    0  votes

PyDespike

PyDespike is a program to graphically process (ie. despike) Raman and other spectroscopic data.


Ratings:    0  votes

QCFF-SOL

This program has been used extensively in studies of spectroscopic and conformational properties of molecules in solution and proteins.


Ratings:    0  votes

SimSoup

SimSoup is a project for the investigation of non-genetic mechanisms of evolution, especially evolution of chemical networks in the context of the Origin of Life.


Ratings:    0  votes

SSIA

SSIA - Simulation of Sterically Induced Alignment Tensor.


Ratings:    0  votes

TRITON

The program TRITON is a graphical tool for computational aided protein engineering.


Ratings:    0  votes

DensToolKit

Toolkit for evaluating scalar and vector fields derivatives of the electron density (LOL, ELF, RoSE, Momentum space density, etc.). Topological analysis of the electron density (QTAIM).


webmaster@freechemical.info