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AutoDock Vina is a successor of AutoDock, significantly improved in terms of accuracy and performance. [3] It is available under the Apache license . Both AutoDock and Vina are currently maintained by Scripps Research , specifically the Center for Computational Structural Biology (CCSB) led by Dr. Arthur J. Olson [ 4 ] [ 5 ]
The number of notable protein-ligand docking programs currently available is high and has been steadily increasing over the last decades. The following list presents an overview of the most common notable programs, listed alphabetically, with indication of the corresponding year of publication, involved organisation or institution, short description, availability of a webservice and the license.
Several protein–ligand docking software applications that calculate the site, geometry and energy of small molecules or peptides interacting with proteins are available, such as AutoDock and AutoDock Vina, rDock, FlexAID, Molecular Operating Environment, and Glide. Peptides are a highly flexible type of ligand that has proven to be a ...
LeDock is a molecular docking software, designed for protein-ligand interactions, that is compatible with Linux, macOS, and Windows. [2] [3] [4] The software can run as a standalone programme or from Jupyter Notebook. [5] It supports the Tripos Mol2 file format.
Significant increase in time to map reads with mismatches (or color errors). Uses an iterative version of the Rabin-Karp string search algorithm. Yes Free, GPL: SparkBWA Integrates the Burrows–Wheeler Aligner (BWA) on an Apache Spark framework running atop Hadoop. Version 0.2 of October 2016, supports the algorithms BWA-MEM, BWA-backtrack ...
Scoring functions are widely used in drug discovery and other molecular modelling applications. These include: [4] Virtual screening of small molecule databases of candidate ligands to identify novel small molecules that bind to a protein target of interest and therefore are useful starting points for drug discovery [5]
Video game companies established in 2010 (67 P) Pages in category "Software companies established in 2010" The following 40 pages are in this category, out of 40 total.
From the software culture of the 1950s to 1990s, public-domain (or PD) software were popular as original academic phenomena. This kind of freely distributed and shared "free software" combined the present-day classes of freeware, shareware, and free and open-source software, and was created in academia, by hobbyists, and hackers. [2]