Search Results for "docking software"

SASM (SimpleASM), simple Open Source crossplatform IDE for NASM, MASM, GAS, FASM assembly languages. SASM has syntax highlighting and debugger. The program works out of the box and is great for beginners to learn assembly language. SASM is translated into Russian, English, Turkish, Chinese, German, Italian, Polish, Hebrew, Spanish. In SASM you can easily develop and execute programs, written in NASM, MASM, GAS or FASM assembly languages. Enter code in form and simply run your program. In...

PyRx is a Virtual Screening software for Computational Drug Discovery that can be used to screen libraries of compounds against potential drug targets. PyRx enables Medicinal Chemists to run Virtual Screening from any platform and helps users in every step of this process - from data preparation to job submission and analysis of the results. While it is true that there is no magic button in the drug discovery process, PyRx includes docking wizard with easy-to-use user interface which makes it a valuable tool for Computer-Aided Drug Design. ...

CemCon is a desktop application developed for automated batch conversion of SMILES strings into optimized 3D molecular structures. The software is designed to simplify ligand preparation workflows for molecular docking, virtual screening, molecular dynamics simulations, and other Computer-Aided Drug Design (CADD) applications. Developed by Abhijit Reang and Sandip Das under the supervision of Dr. Arabinda Ghosh, Department of Molecular Biology and Bioinformatics, Tripura University, India...

the ADFRsuite provides a self contain python-based software environment with various tools for automated docking. visit ccsb.scripps.edu/adfr for more info

DockStream is a docking wrapper providing access to a collection of ligand embedders and docking backends. Docking execution and post hoc analysis can be automated via the benchmarking and analysis workflow. The flexilibity to specifiy a large variety of docking configurations allows tailored protocols for diverse end applications. DockStream can also parallelize docking across CPU cores, increasing throughput. DockStream is integrated with the de novo design platform, REINVENT, allowing one...

gEcrit is a Python orientated source code editor. It tries to keep the interface as clean as possible and keep the menus simple. It features all the common features a Python programmer might need, including an interactive Python shell.

Ducking is a software who is providing simulation of probable docking between two proteins using rigid body monte carlo method. It is written in python and uses the libraries wxPython, VTK, SciPy and BioPython.