Results 251 to 260 of about 380,898 (297)
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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
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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
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 ...
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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 Against Obesity
Current Medicinal Chemistry, 2011The development of novel drugs against obesity is one of the top priorities of worldwide drug research. In recent years, it has been facilitated by the application of virtual screening methods. In this review, we give a short introduction into obesity-related protein targets and computer-aided drug design techniques.
P, Markt, S, Herdlinger, D, Schuster
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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?
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Structure-Based Virtual Screening
2017Structure-based virtual screening (SBVS) is a computational approach used in the early-stage drug discovery campaign to search a chemical compound library for novel bioactive molecules against a certain drug target. It utilizes the three-dimensional (3D) structure of the biological target, obtained from X-ray, NMR, or computational modeling, to dock a ...
Qingliang, Li, Salim, Shah
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Pharmacophore-Based Virtual Screening
Current Medicinal Chemistry, 2008Virtual screening (VS) is an important component of cheminformatics and molecular modeling. An abundance of structural information, indicated by both the ever-increasing availability of 3-dimensional (3D) protein structures and the readiness of free conformational databases of commercially available compounds, such as ZINC, supplies a broad platform ...
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Virtual Screening Meets Deep Learning
Current Computer-Aided Drug Design, 2018Background: Automated compound testing is currently the de facto standard method for drug screening, but it has not brought the great increase in the number of new drugs that was expected. Computer- aided compounds search, known as Virtual Screening, has shown the benefits to this field as a complement or even alternative to the robotic drug ...
Javier, Pérez-Sianes +2 more
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Virtual Screening for Kinase Targets
Current Medicinal Chemistry, 2004Kinases have become a major area of drug discovery and structure-based design. Hundreds of 3D structures for more than thirty different kinases are available to the public. High structural and sequence homology within the kinase gene family makes the remaining kinases ideal targets for homology modeling and virtual screening.
Ingo, Muegge, Istvan J, Enyedy
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Novel technologies for virtual screening
Drug Discovery Today, 2004There are several methods for virtual screening of databases of small organic compounds to find tight binders to a given protein target. Recent reviews in Drug Discovery Today have concentrated on screening by docking and by pharmacophore searching. Here, we complement these reviews by focusing on virtual screening methods that are based on analyzing ...
Lengauer, T. +3 more
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Statistical Tools for Virtual Screening
Journal of Medicinal Chemistry, 2005In large-scale virtual screening (VS) campaigns, data are often computed for millions of compounds to identify leads, but there remains the task of prioritizing VS "hits" for experimental assays and the dilemma of assessing true/false positives. We present two statistical methods for mining large databases: (1) a general scoring metric based on the VS ...
Jennifer R, Krumrine +2 more
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