Protein-ligand docking simulation is central in drug design and development. Therefore, the development of web servers intended to docking simulations is of pivotal importance …
Molecular docking has been widely employed as a fast and inexpensive technique in past decades, both in academic and industrial setting. In current situation molecular docking …
MA Rauf, S Zubair, A Azhar - International Journal of Basic and …, 2015 - researchgate.net
Docking of various therapeutically important chemical entities to the specific target sites offers a meaningful strategy that may have tremendous scope in a drug design process. For …
Exploring protein–ligand interactions is a subject of immense interest, as it provides deeper insights into molecular recognition, mechanism of interaction and subsequent functions …
E Di Muzio, D Toti, F Polticelli - Journal of Computer-Aided Molecular …, 2017 - Springer
Molecular docking is a powerful technique that helps uncover the structural and energetic bases of the interaction between macromolecules and substrates, endogenous and …
Molecular docking is a structure-based computational method that generates the binding pose and affinity between ligands and targets. There are many powerful docking programs …
G Sandeep, KP Nagasree, M Hanisha, MMK Kumar - BMC research notes, 2011 - Springer
Background AUTODOCK Vina is an open-source program which is steadfast and authentic to perform docking simulations. Though, Auto Dock Tools can help perform docking …
Y Kochnev, E Hellemann, KC Cassidy… - …, 2020 - academic.oup.com
Motivation Molecular docking is a computational technique for predicting how a small molecule might bind a macromolecular target. Among docking programs, AutoDock Vina is …
MCK Ng, S Fong, SWI Siu - Journal of bioinformatics and …, 2015 - World Scientific
Protein–ligand docking is an essential step in modern drug discovery process. The challenge here is to accurately predict and efficiently optimize the position and orientation of …