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POAP is a shell-script-based tool which automates AutoDock for virtual screening from ligand preparation to post docking analysis. [26] VirtualFlow allows to carry out ultra-large virtual screenings on computer clusters and the cloud using AutoDock Vina-based docking programs, allowing to routinely screen billions of compounds. [27]
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.
NASA Docking System (active androgynous variant on top, permanently passive variant on the bottom). [citation needed] Mechanical latches (visible on the guide petals) in the active ring clamp onto the passive section for contact and capture IDAs shown connected to PMA-2 and PMA-3 on the Harmony node.
IDSS Rev D NDS, NASA's implementation of IDSS. The International Docking System Standard (IDSS) is an international standard for spacecraft docking adapters.It was created by the International Space Station Multilateral Coordination Board, on behalf of the International Space Station partner organizations; NASA, Roscosmos, JAXA, ESA, and the Canadian Space Agency.
The base of the tower is hinged and the top of the tower is connected to a pulley system for load lifting. As this is a simple derrick system, it is recommended for use by some agencies as an improvised rescue derrick in an emergency situation where no suitable rescue derrick or crane is available. [1] [2]
Comprehensive life science modeling and simulation suite of applications focused on optimizing drug discovery process: small molecule simulations, QM-MM, pharmacophore modeling, QSAR, protein-ligand docking, protein homology modeling, sequence analysis, protein-protein docking, antibody modeling, etc. Proprietary, trial available
Glide is a molecular modeling software for docking of small molecules into proteins and other biopolymers. [ 1 ] [ 2 ] It was developed by Schrödinger, Inc. References
GYP (Generate Your Projects) – Build automation tool created by Google; superseded by GN which generates files for ninja and other tools; imake – build automation system written for the X Window System; OpenMake Software Meister; Meson – Build automation tool; integrated with GNOME Builder [2]
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