Results 71 to 80 of about 4,190,416 (396)
Computational structure‐based drug design: Predicting target flexibility [PDF]
, 2018 The role of molecular modeling in drug design has experienced a significant revamp in the last decade. The increase in computational resources and molecular models, along with software developments, is finally introducing a competitive advantage in early
Ding X. +4 more
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Journal of Molecular Docking, 2022 VlsE is the key enzyme in antibacterial and suicide antigenic variation. While the vlsE of Borrelia burgdorferi sensu lato complex causes Lyme disease. Therefore, vlsE is considered a significant drug target for Lyme disease. In this paper, we report the
Venu Paritala +2 more
doaj +1 more source
Deep Learning Model of Dock by Dock Process Significantly Accelerate the Process of Docking-based Virtual Screening [PDF]
arXiv, 2021 Docking-based virtual screening (VS process) selects ligands with potential pharmacological activities from millions of molecules using computational docking methods, which greatly could reduce the number of compounds for experimental screening, shorten the research period and save the research cost.
arxiv
Molecular Docking - An Overview
, 2023 Abstract Molecular docking has become an increasingly important tool for drug discovery. In this review, we present a brief introduction of the available molecular docking methods, and their development and applications in drug discovery. Molecular docking has been widely employed as a fast and inexpensive technique in the past decades, both in ...
Narender Boggula +4 more
openaire +2 more sources
Docking-based virtual screening of known drugs against murE of Mycobacterium tuberculosis towards repurposing for TB. [PDF]
, 2016 Repurposing has gained momentum globally and become an alternative avenue for drug discovery because of its better success rate, and reduced cost, time and issues related to safety than the conventional drug discovery process.
Brindha, Sridharan +4 more
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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
Molecules, 2020 In this review, we retraced the ‘40-year evolution’ of molecular docking algorithms. Over the course of the years, their development allowed to progress from the so-called ‘rigid-docking’ searching methods to the more sophisticated ‘semi-flexible’ and ...
Francesca Tessaro, Leonardo Scapozza
doaj +1 more source
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
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Drug Design, Development and Therapy, 2020 Hassan Dana, 1, 2,* Ghanbar Mahmoodi Chalbatani, 1,* Elahe Gharagouzloo, 1 Seyed Rouhollah Miri, 1 Fereidoon Memari, 1 Reza Rasoolzadeh, 3 Mohammad Reza Zinatizadeh, 3 Peyman Kheirandish Zarandi, 3 Vahid Marmari 2 1Cancer Research Center, Cancer ...
Dana H +8 more
doaj
Journal of Molecular Docking, 2021 Corona Virus Disease 2019 (COVID-19) is a new strain of coronavirus called SARS-CoV-2, which was identified in Wuhan, China, in December 2019. The rapid transmission of COVID-19 from human to human forced researchers to find a potent drug by setting ...
Baiq Ressa Puspita Rizma +2 more
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