Results 51 to 60 of about 4,190,416 (396)
A Novel Scoring Based Distributed Protein Docking Application to Improve Enrichment [PDF]
, 2015 Molecular docking is a computational technique which predicts the binding energy and the preferred binding mode of a ligand to a protein target. Virtual screening is a tool which uses docking to investigate large chemical libraries to identify ligands ...
Merrill, Stephen +4 more
core +2 more sources
In Silico Anti-Inflammation Prediction of Glycyrrhiza Extracts Against Covid-19
Journal of Molecular Docking, 2021 Due to its anti-inflammation effect, Glycyrrhiza extract is one of the natural extracts that may potentially combat coronavirus disease in 2019 (COVID-19).
Mansoureh Nazari
doaj +1 more source
Software for molecular docking: a review [PDF]
Biophysical Reviews, 2017 Molecular docking methodology explores the behavior of small molecules in the binding site of a target protein. As more protein structures are determined experimentally using X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy, molecular docking is increasingly used as a tool in drug discovery.
Nataraj Sekhar Pagadala +3 more
openaire +2 more sources
DockPro: A VR-Based Tool for Protein-Protein Docking Problem [PDF]
, 2008 Proteins are large molecules that are vital for all living organisms and they are essential components of many industrial products. The process of binding a protein to another is called protein-protein docking.
Balcısoy, Selim +7 more
core +2 more sources
Journal of Algorithms & Computational Technology, 2019 The main objective of molecular docking is to find a model of interaction between a protein and ligand with a minimum binding energy. This process is driven by intricate algorithms and scoring functions.
Yi Fu, Juan Mei, Ji Zhao
doaj +1 more source
Journal of Molecular Docking, 2021 Authors have found an error in the previous version (Shamkh, IM, & Pratiwi, D. (2021). Development of SARS-CoV-2 Inhibitors Using Molecular Docking Study with Different Coronavirus Spike Protein and ACE2. Journal of Molecular Docking, 1(1), 1-14. https://
Israa Mohamed Shamkh +2 more
doaj +1 more source
Physics-based visual characterization of molecular interaction forces [PDF]
, 2017 Molecular simulations are used in many areas of biotechnology, such as drug design and enzyme engineering. Despite the development of automatic computational protocols, analysis of molecular interactions is still a major aspect where human comprehension ...
Estrada, Jorge +5 more
core +4 more sources
Journal of Molecular Docking, 2021 The novel coronavirus SARS-CoV-2 is an acute respiratory tract infection that emerged in Wuhan city, China. The spike protein of coronaviruses is the main driving force for host cell recognition and is responsible for binding to the ACE2 receptor on the ...
Israa Mohamed Shamkh, Dina Pratiwi
doaj +1 more source
Modeling of protein-peptide interactions using the CABS-dock web server for binding site search and flexible docking [PDF]
Methods, 93:72-83, 2016, 2015 Protein-peptide interactions play essential functional roles in living organisms and their structural characterization is a hot subject of current experimental and theoretical research. Computational modeling of the structure of protein-peptide interactions is usually divided into two stages: prediction of the binding site at a protein receptor surface,
arxiv +1 more source
PTools: an opensource molecular docking library [PDF]
BMC Structural Biology, 2009 Abstract Background Macromolecular docking is a challenging field of bioinformatics. Developing new algorithms is a slow process generally involving routine tasks that should be found in a robust library and not programmed from scratch for every new software application. Results
Pierre Poulain +6 more
openaire +6 more sources