Results 61 to 70 of about 388,426 (349)

Identification of Plk1 type II inhibitors by structure-based virtual screening [PDF]

, 2009
Protein kinases are targets for drug development. Dysregulation of kinase activity leads to various diseases, e.g. cancer, inflammation, diabetes. Human polo-like kinase 1 (Plk1), a serine/threonine kinase, is a cancer-relevant gene and a potential drug ...
Keppner, Sarah, Proschak, Ewgenij, Schneider, Gisbert (Prof. Dr.), Spänkuch-Schmitt, Birgit   +3 more
core   +1 more source

Navigating new norms: a systematic review of factors for the development of effective digital tools in higher education

FEBS Open Bio, EarlyView.
What factors make for an effective digital learning tool in Higher Education? This systematic review identifies elements of a digital tool that published examples reveal to be features of an engaging and impactful digital tool. A systematic literature search yielded 25 research papers for analysis.
Akmal Arzeman, Jessica Haines, Connie Pritchard, Stephen Rutherford, Nigel Francis   +4 more
wiley   +1 more source

Evaluation of high performance computing platforms for drug discovery

Journal of Computer Science and Technology, 2015
In my dissertation, we evaluate the current landscape of computation, using as a case study a high-impact problem for society as virtual screening. Virtual screening is a computational tool extensively used for drug discovery.
Guinés D. Guerrero
doaj  

Quantum Hair on Black Holes [PDF]

, 1992
A black hole may carry quantum numbers that are {\it not} associated with massless gauge fields, contrary to the spirit of the ``no-hair'' theorems. We describe in detail two different types of black hole hair that decay exponentially at long range.
't Hooft, 't Hooft, 't Hooft, Adler, Aharonov, Alford, Alford, Allen, Bais, Bekenstein, Bekenstein, Bekenstein, Bogomol'nyi, Bowick, Brandt, Bucher, Callan, Campbell, Campbell, Cho, Coleman, Coleman, Coleman, Coleman, Coleman, Dowker, Frank Wilczek, Garfinkle, Gibbons, Gibbons, Gibbons, Gibbons, Gibbons, Giddings, Green, Gross, Gupta, Hawking, Hawking, Hawking, Hawking, Hawking, Hawking, Hawking, Holzhey, John Preskill, Krauss, Lee, Lee, Lee, March-Russell, Newmann, Polyakov, Preskill, Preskill, Preskill, Price, Price, Rohm, Rubakov, Shapere, Sidney Coleman, Srednicki, Teitelboim, Vilenkin, Wald, Weinberg, Witten   +67 more
core   +4 more sources

Iterated Virtual Screening-Assisted Antiviral and Enzyme Inhibition Assays Reveal the Discovery of Novel Promising Anti-SARS-CoV-2 with Dual Activity [PDF]

, 2021
Rania Hamdy, Bahgat Fayed, Ahmed Mostafa, Noura M. Abo Shama, Sara H. Mahmoud, Chetan Hasmukh Mehta, Yogendra Nayak, Sameh S. M. Soliman   +7 more
openalex   +1 more source

Iran Virtual Screening (IranVScreen): An Integrated Virtual Screening Interface

Journal of Archives in Military Medicine, 2015
Background: Virtual screening (VS), as a computational technique, is being used widely in drug discovery research. One of the widely used VS methods is based on the docking of every ligand structure in a specific macromolecule. Multiple popular VS tools do not provide a graphic user interface (GUI).
Majid Jafari Sabet, Ali Baratian, Mohammad Habibi, Farzin Hadizadeh   +3 more
openaire   +1 more source

Predictiveness curves in virtual screening [PDF]

Journal of Cheminformatics, 2015
In the present work, we aim to transfer to the field of virtual screening the predictiveness curve, a metric that has been advocated in clinical epidemiology. The literature describes the use of predictiveness curves to evaluate the performances of biological markers to formulate diagnoses, prognoses and assess disease risks, assess the fit of risk ...
Empereur-Mot, Charly, Guillemain, Hélène, Latouche, Aurélien, Zagury, Jean-François, Viallon, Vivian, Montes, Matthieu   +5 more
openaire   +2 more sources

Predicting Epileptogenic Tubers in Patients With Tuberous Sclerosis Complex Using a Fusion Model Integrating Lesion Network Mapping and Machine Learning

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Objective Accurate localization of epileptogenic tubers (ETs) in patients with tuberous sclerosis complex (TSC) is essential but challenging, as these tubers lack distinct pathological or genetic markers to differentiate them from other cortical tubers.
Tinghong Liu, Qi Wang, Suhui Kuang, Dezhi Cao, Ping Ding, Shaohui Zhang, Haihua Wei, Zhirong Wei, Jinshan Xu, Xinyu Huang, Bing Liu, Shuli Liang   +11 more
wiley   +1 more source

Evaluation of a novel virtual screening strategy using receptor decoy binding sites [PDF]

, 2016
Virtual screening is used in biomedical research to predict the binding affinity of a large set of small organic molecules to protein receptor targets.
Kukol, A., Kukol, A., Patel, H., Patel, H.   +3 more
core   +2 more sources

Known Drugs Identified by Structure-Based Virtual Screening Are Able to Bind Sigma-1 Receptor and Increase Growth of Huntington Disease Patient-Derived Cells [PDF]

, 2021
Theo Battista, Gianmarco Pascarella, David Sasah Staid, Gianni Colotti, Jessica Rosati, Annarita Fiorillo, Alessia Casamassa, Angelo L. Vescovi, Barbara Giabbai, Marta S. Semrau, Sergio Fanelli, Paola Storici, Ferdinando Squitieri, Veronica Morea, Andrea Ilari   +14 more
openalex   +1 more source