Results 191 to 200 of about 25,555 (231)

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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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 Mapping

Pharmacophore mapping identifies the key molecular features and their 3D spatial relationships required for a molecule to have biological activity. The process involves defining these features (like hydrogen bond donors/acceptors, hydrophobic groups, and charges), finding the correct conformations for active molecules, and using these models to align ...
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Drug Design by Pharmacophore and Virtual Screening Approach

Pharmaceuticals, 2022
Deborah Giordano, Angelo Facchiano
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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Pharmacophore modeling

2023
Maheshkumar Borkar, Arati Prabhu, Abhishek Kanugo, Rupesh Kumar Gautam   +3 more
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Pharmacophore-based virtual screening, 3D QSAR, Docking, ADMET, and MD simulation studies: An in silico perspective for the identification of new potential HDAC3 inhibitors

Computers in Biology and Medicine, 2023
Nilanjan Adhikari, Balaram Ghosh
exaly  

Next generation 3D pharmacophore modeling

Wiley Interdisciplinary Reviews: Computational Molecular Science, 2020
David Schaller, Theresa Noonan, Lihua Deng   +2 more
exaly  

pharmacophore, n.

2023
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