Results 21 to 30 of about 388,426 (349)

Research progress on the application of screening tools based on virtual reality technology in the elderly with mild cognitive impairment

Huli yanjiu, 2023
This study introduced the application status of screening tools based on virtual reality technology in the elderly with mild cognitive impairment at home and abroad，and analyzed the advantages and disadvantages of screening tools based on virtual reality
LI Yucan, HU Hui, DENG Bei, YE Niansi, LIU Xueting, ZHOU Shi, PENG Yunqiao   +6 more
doaj  

Discovery of Immunoproteasome Inhibitors Using Large-Scale Covalent Virtual Screening

Molecules, 2019
Large-scale virtual screening of boronic acid derivatives was performed to identify nonpeptidic covalent inhibitors of the β5i subunit of the immunoproteasome. A hierarchical virtual screening cascade including noncovalent and covalent docking steps
Andrea Scarpino, Dávid Bajusz, Matic Proj, Martina Gobec, Izidor Sosič, Stanislav Gobec, György G. Ferenczy, György M. Keserű   +7 more
doaj   +1 more source

VSFlow: an open-source ligand-based virtual screening tool

Journal of Cheminformatics, 2023
Ligand-based virtual screening is a widespread method in modern drug design. It allows for a rapid screening of large compound databases in order to identify similar structures.
Sascha Jung, Helge Vatheuer, Paul Czodrowski   +2 more
doaj   +1 more source

Virtual screening for NS5B inhibitors of Hepatitis C virus [PDF]

, 2012
Hepatitis C Virus (HCV) infection is a serious cause of chronic liver disease worldwide with more than 170 million infected individuals at a risk of developing significant morbidity and mortality.
Achuthsankar S. Nair, Amjesh R, Sugunan V.S.   +2 more
core   +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, Gnanadoss, John Joel, Sundaramurthi, Jagadish Chandrabose, Velmurugan, Devadasan, Vincent, Savariar   +4 more
core   +1 more source

Evaluation of machine-learning methods for ligand-based virtual screening [PDF]

, 2007
Machine-learning methods can be used for virtual screening by analysing the structural characteristics of molecules of known (in)activity, and we here discuss the use of kernel discrimination and naive Bayesian classifier (NBC) methods for this purpose ...
A Bender, A Bender, A Bender, A Ormerod, A Ormerod, AE Klon, AM Capelli, AR Leach, B Chen, Beining Chen, C Williams, D Hand, D Rogers, D Wilton, DA Cosgrove, David J. Wood, DB Kitchen, DE Clark, DJ Hand, DJ Wilton, DM Hawkins, E Parzen, FL Stahura, G Harper, G Redl, G Schneider, George Papadatos, H Eckert, H Kubinyi, HM Berman, J Aitchison, J Bajorath, J Delaney, J Hert, J Hert, J Hert, JC Saeh, L Hodes, L Hodes, L Hodes, M Congreve, M Glick, M Glick, M Wagener, M Whittle, N Christianini, N Nikolova, Nikolaus Stiefl, P Constans, P Domingos, P Willett, P Willett, P Willett, P Willett, P Willett, Paulette Greenidge, Peter Willett, Q Zhang, R P Sheridan, RD Brown, RD Brown, RD Cramer, RE Carhart, RO Duda, Robert F. Harrison, S Anzali, TJ McNeany, TM Mitchell, Xiao Qing Lewell, XY Xia, YC Martin, YC Martin   +71 more
core   +2 more sources

Adapting Document Similarity Measures for Ligand-Based Virtual Screening

Molecules, 2016
Quantifying the similarity of molecules is considered one of the major tasks in virtual screening. There are many similarity measures that have been proposed for this purpose, some of which have been derived from document and text retrieving areas as ...
Mubarak Himmat, Naomie Salim, Mohammed Mumtaz Al-Dabbagh, Faisal Saeed, Ali Ahmed   +4 more
doaj   +1 more source

Drug Design by Pharmacophore and Virtual Screening Approach

Pharmaceuticals, 2022
Computer-aided drug discovery techniques reduce the time and the costs needed to develop novel drugs. Their relevance becomes more and more evident with the needs due to health emergencies as well as to the diffusion of personalized medicine ...
Deborah Giordano, Carmen Biancaniello, Maria Antonia Argenio, Angelo Facchiano   +3 more
doaj   +1 more source

Discovery of Novel Allosteric Modulators Targeting an Extra-Helical Binding Site of GLP-1R Using Structure- and Ligand-Based Virtual Screening

Biomolecules, 2021
Allosteric modulators have emerged with many potential pharmacological advantages as they do not compete the binding of agonist or antagonist to the orthosteric sites but ultimately affect downstream signaling. To identify allosteric modulators targeting
Qingtong Zhou, Wanjing Guo, Antao Dai, Xiaoqing Cai, Márton Vass, Chris de Graaf, Wenqing Shui, Suwen Zhao, Dehua Yang, Ming-Wei Wang   +9 more
doaj   +1 more source

Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databases [PDF]

, 2002
This paper reports an evaluation of both graph-based and fingerprint-based measures of structural similarity, when used for virtual screening of sets of 2D molecules drawn from the MDDR and ID Alert databases.
Raymond, J.W., Willett, P.
core   +1 more source