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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.
Molecular Operating Environment (MOE) is a drug discovery software platform that integrates visualization, modeling and simulations, as well as methodology development, in one package. MOE scientific applications are used by biologists, medicinal chemists and computational chemists in pharmaceutical, biotechnology and academic research.
AutoDock is a molecular modeling simulation software. It is especially effective for protein-ligand docking. AutoDock 4 is available under the GNU General Public License. AutoDock is one of the most cited docking software applications in the research community. [1]
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.
FlexAID is a molecular docking software that can use small molecules and peptides as ligands and proteins and nucleic acids as docking targets. As the name suggests, FlexAID supports full ligand flexibility as well side-chain flexibility of the target.
PES 2020 is the last game in the series to use Kojima Productions's Fox Engine. It is also the last installment in the franchise to use the PES name and branding as the following installment was just named eFootball and is free to play. [3] [4] The mobile version reached 300 million downloads by June 2020. [5]
The game was released on PlayStation 4, PlayStation 5, Microsoft Windows, Xbox One, and Xbox Series X/S on 30 September 2021. [4] [2] It was built using Unreal Engine 4 for the first time in the franchise. [5] On 8 October 2021, Konami announced that it would release a new update with fixes for the game's issues on 28 October 2021. [6]
rDock (previously RiboDock) is an open-source molecular docking software that be used for docking small molecules against proteins and nucleic acids. It is primarily designed for high-throughput virtual screening and prediction of binding mode.