DIFACQUIM/De-novo-desing-of-HIV-1-inhibitors

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DIFACQUIM/De-novo-desing-of-HIV-1-inhibitors

DIFACQUIM

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Repository for the artitle: Towards the de novo Design of HIV-1 Protease Inhibitors based on Natural Products

ECIF

Extended Connectivity Interaction Features

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Cursos

Tutoriales de Quimioinformática aplicada al diseño de fármacos

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Proyecto_HUAWEI

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IFG_General

Repository for the work Functional group and diversity analysis of BIOFACQUIM: A Mexican natural product database.

Natural-products-subsets-generation

Please, cite our manuscript: Chávez-Hernández, A. L., & Medina-Franco, J. L. (2023). Natural products subsets: Generation and characterization. Artificial Intelligence in the Life Sciences, 3, 100066.

Art-Driven-by-Visual-Representations-of-Chemical-Space-

Please, cite our manuscript: Gaytán-Hernández, D., Chávez-Hernández, A.L., López-López, E., Miranda-Salas, J., Saldívar-González, F. I.& Medina-Franco, J. L. Art driven by visual representations of chemical space. J Cheminform 15, 100 (2023). https://doi.org/10.1186/s13321-023-00770-4

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SB-DFP

Repository for the article Statistical-Based Database Fingerprint: Chemical space dependent representation of compound databases

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Docking

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DNMT1-Protocol

Repository for the work: Consensus docking for inhibitors of DNA methyltransferase 1: A novel inhibitor inspired by de novo design

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naproc13_characterization

Food_chemicals_characterization

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De-Novo_DNMT1

Repository for the work: De novo design of inhibitors of DNA methyltransferase 1: A critical comparison of ligand- and structure-based approaches

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