Results 51 to 60 of about 277,604 (297)
PARADOCKS – a framework for molecular docking [PDF]
Journal of Cheminformatics, 2011 The prediction of possible binding geometries as well as ranking of putative protein-ligand complexes according their binding affinities is the intention of so called molecular docking approaches. To evaluate complexes against each other, scoring functions are required. In recent years knowledge-based scoring functions have been evolved.
Martin Pippel +2 more
openaire +2 more sources
Drug Design, Development and Therapy, 2020 Dana H, Mahmoodi Chalbatani G, Gharagouzloo E, et al.Drug Des Devel Ther. 2020;14:309–329.On page 309, Correspondence, the name of author was not updated by the Editorial staff when the author’s name was corrected in the author list during ...
Dana H +8 more
doaj
Journal of Molecular Docking, 2022 The selective blockade of 5HT7R (5-hydroxytryptamine 7 receptor) displays an antidepressant-like activity. It is a Gs-coupled receptor, which inactivates the adenyl cyclase enzyme or activates the potassium ion channel. Structural information of 5HT7 was
Nahid Fatema +4 more
doaj +1 more source
Benchmarking of different molecular docking methods for protein-peptide docking
BMC Bioinformatics, 2019 Background Molecular docking studies on protein-peptide interactions are a challenging and time-consuming task because peptides are generally more flexible than proteins and tend to adopt numerous conformations.
Piyush Agrawal +5 more
doaj +1 more source
Journal of Molecular Docking, 2022 Resistance against anti-tubercular drugs is a significant problem. This elucidates the need for novel drug targets. Altering and targeting the enzymes involved in cell wall synthesis led to fatal damage to the bacterial cell. Mycolic acids are critically
Rishabh Gaur, Praveen Kumar Anand
doaj +1 more source
Alantolactone: A Potential Multitarget Drug candidate for Prevention of SARS-CoV-2 Cell Entry
Journal of Molecular Docking, 2022 The novel strain of coronavirus, SARS-CoV-2, has spread adverse effects on human health with high mortality rates worldwide. SARS-CoV-2 is a severe respiratory disease expressed through positive single stranded RNA enveloped virus.
Erum Zafar +8 more
doaj +1 more source
HexServer : an FFT-based protein docking server powered by graphics processors
, 2010 HexServer (http://hexserver.loria.fr/) is the first Fourier transform (FFT)-based protein docking server to be powered by graphics processors. Using two graphics processors simultaneously, a typical 6D docking run takes similar to 15 s, which is up to ...
Venkatraman, Vishwesh +5 more
core +1 more source
On the Integration of Pharmacophore Model and Molecular Docking Method
Journal of Algorithms & Computational Technology, 2011 Structure-based molecular docking has been recognized as the most effective virtual screening technology. Two aspects decide the accuracy of virtual screening result: one is the simulation degree to the interaction of ligands and acceptors, the other is ...
G. Dong, X.J. Deng, J.H. Xiao
doaj +1 more source
Chemistry Journal of Moldova: General, Industrial and Ecological ChemistryIn this study, it was investigated by molecular docking, the interaction of fourteen natural compounds (artemisinin, bilobalide, bilobetin, chelerythrine, chelidonin, epicatechin, gelsemic acid, ginkgolide A, isosilybin, silicristin, silybin, taraxacin ...
Daniel Cord +4 more
doaj +1 more source
Molecular Docking Study of Caffeic Acid as Acetylcholinesterase Inhibitor
Journal of Food and Pharmaceutical Sciences, 2023 Acetylcholinesterase (AChE) receptor is a receptor that has been widely used as a potential drug target for Alzheimer's disease. Caffeic acid is a phenolic compound that had been experimentally proven to be an inhibitor of AChE.
Stephanus Satria Wira Waskitha +2 more
doaj +1 more source