Results 211 to 220 of about 119,327 (256)
Screening of SGLT2 inhibitors based on virtual screening and cellular experiments. [PDF]
Sci RepLiu D +5 more
europepmc +1 more source
Protocol for an automated virtual screening pipeline including library generation and docking evaluation. [PDF]
STAR ProtocBarbosa Pereira PJ +3 more
europepmc +1 more source
Efficient decoy selection to improve virtual screening using machine learning models. [PDF]
J CheminformVictoria-Muñoz F +3 more
europepmc +1 more source
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2011
In this chapter, the authors analyze virtual screening advantages and the classification of virtual screening approaches. They also discuss the current and potential importance of virtual screening for drug development in Latin America. Finally, they present a brief overview on virtual screening perspectives.
Alan Talevi +2 more
+5 more sources
In this chapter, the authors analyze virtual screening advantages and the classification of virtual screening approaches. They also discuss the current and potential importance of virtual screening for drug development in Latin America. Finally, they present a brief overview on virtual screening perspectives.
Alan Talevi +2 more
+5 more sources
A framework for virtual screening
Proceedings of the 31st Annual ACM Symposium on Applied Computing, 2016Recent advances in Bioinformatics and in Computer simulation and modelling have positively impacted the drug discovery process by turning viable the rational drug design (RDD). One of the major challenges in RDD is the understanding about protein-ligand interaction simulated at the atomic level by molecular docking algorithms. Virtual screening (VS) is
Vinicius Rosa Seus +5 more
openaire +1 more source
2023
Computational methods in modern drug discovery have become ubiquitous, with methods that cover most of the discovery stages: from hit finding and lead identification to lead optimization. The overall aim of these computational methods is to obtain a more efficient discovery process, by reducing the number of "wet" experiments required to produce ...
openaire +2 more sources
Computational methods in modern drug discovery have become ubiquitous, with methods that cover most of the discovery stages: from hit finding and lead identification to lead optimization. The overall aim of these computational methods is to obtain a more efficient discovery process, by reducing the number of "wet" experiments required to produce ...
openaire +2 more sources
Virtual Screening of Virtual Libraries
2003Virtual screening of virtual libraries (VSVL) is a rapidly changing area of research. Great efforts are being made to produce better algorithms, selection methods and infrastructure. Yet, the number of successful examples in the literature is not impressive, although the quality of work certainly is high. Why is this?
openaire +2 more sources
Virtual screening of the estrogen receptor
Expert Opinion on Drug Discovery, 2008For > 30 years, the estrogen receptor (ER) has been the most important biomarker in breast cancer, principally because of its role in indicating the potential of patients to benefit from endocrine therapy. The search for modulators of ER (selective estrogen receptor modulators) through the use of computational methods such as virtual screening (VS) has
Andrew Js, Knox +3 more
openaire +2 more sources