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Conformations and 3D pharmacophore searching

Drug Discovery Today: Technologies, 2010
Several methods have been developed and published over the past years to generate sets of diverse and pharmacologically relevant conformations which can be used within 3D pharmacophore search protocols to increase the number of meaningful hits of such experiments.
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Pharmacophore-Based Virtual Screening

Current Medicinal Chemistry, 2008
Virtual 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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Pharmacophore-Based Virtual Screening

2010
This chapter is a review of the most recent developments in the field of pharmacophore modeling, covering both methodology and application. Pharmacophore-based virtual screening is nowadays a mature technology, very well accepted in the medicinal chemistry laboratory. Nevertheless, like any empirical approach, it has specific limitations and efforts to
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Pharmacophore Features of Potential Drugs

ChemInform, 2002
AbstractFor Abstract see ChemInform Abstract in Full Text.
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Drug Design by Pharmacophore and Virtual Screening Approach

Pharmaceuticals, 2022
Deborah Giordano   +2 more
exaly  

Pharmacophore modeling in drug design

A successful and expanded area of computational drug design is pharmacophore modeling. A pharmacophore is a description of the structural features of a compound that are essential to its biological activity. The rational design of new drugs has made extensive use of the pharmacophore concept.
Yasmin, Momin, Vilas, Beloshe
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The pharmacophore of thapsigargin

Planta Medica, 2010
S Christensen   +6 more
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Pharmacophore modeling

2023
Maheshkumar Borkar   +3 more
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