Dynamics and Functional Exploration of Pharmacologically Active Proteins

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CORRECTION

Published on 29 Jul 2025

Correction: Integrative computational approaches identify haptoglobin inhibitors to modulate erythrocyte sedimentation rate in trauma-linked inflammatory and haematological malignancies

Abdulaziz H. Al Khzem
Shaban Ahmad

doi 10.3389/fchem.2025.1662748

701 views

ORIGINAL RESEARCH

Published on 18 Jun 2025

Integrative computational approaches identify haptoglobin inhibitors to modulate erythrocyte sedimentation rate in trauma-linked inflammatory and haematological malignancies

Abdulaziz H. Al Khzem
Shaban Ahmad

doi 10.3389/fchem.2025.1611972

1,305 views

ORIGINAL RESEARCH

Published on 04 Feb 2025

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

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

doi 10.3389/fchem.2025.1479763

3,465 views
3 citations

ORIGINAL RESEARCH

Published on 25 Nov 2024

Screening, optimization, and ADMET evaluation of HCJ007 for pancreatic cancer treatment through active learning and dynamics simulation

YunYun Xu
Qiang Wang
GaoQiang Xu
YouJian Xu
YiPing Mou

doi 10.3389/fchem.2024.1482758

1,071 views
1 citation

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Theoretical and Computational Chemistry
Chemical Physics and Physical Chemistry
Chemical Biology

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