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3 articles related to "Dynamic Pharmacophore"

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Articles

Original Research

Published on 04 Feb 2025

dyphAI dynamic pharmacophore modeling with AI: a tool for efficient screening of new acetylcholinesterase inhibitors

in Theoretical and Computational Chemistry

Yasser Hayek-Orduz
Dorian Armando Acevedo-Castro
Juan Sebastián Saldarriaga Escobar
Brandon Eli Ortiz-Domínguez
María Francisca Villegas-Torres
Paola A. Caicedo
Álvaro Barrera-Ocampo
Natalie Cortes
Edison H. Osorio
Andrés Fernando González Barrios

Frontiers in Chemistry

doi 10.3389/fchem.2025.1479763

5,210 views
4 citations

Mini Review

Published on 07 Jan 2026

Pharmacophore modeling: advances and pitfalls

in Biological Modeling and Simulation

Mahmoud Y. Elsaka
M. Modather Taha
Amr Tayel
Haytham O. Tawfik
Mahmoud A. A. Ibrahim
Tamer Shoeib

Frontiers in Molecular Biosciences

doi 10.3389/fmolb.2025.1760982

1,549 views

Original Research

Published on 02 Dec 2020

Hybrid Dynamic Pharmacophore Models as Effective Tools to Identify Novel Chemotypes for Anti-TB Inhibitor Design: A Case Study With Mtb-DapB

in Medicinal and Pharmaceutical Chemistry

Chinmayee Choudhury
Anshu Bhardwaj

Frontiers in Chemistry

doi 10.3389/fchem.2020.596412

5,302 views
8 citations