Results 161 to 170 of about 31,497 (236)

Molecular modeling design of antitrypanosomal pyrazolone derivatives targeting Chagas disease: QSAR, docking, molecular dynamics and free energy calculations. [PDF]

J Mol Model
Sousa KKF, Barbosa ABS, Cardoso FJB, Silva JRA, Molfetta FA.   +4 more
europepmc   +1 more source

Repositioning antiviral phytoconstituents as broad-spectrum inhibitors of influenza A neuraminidase and human metapneumovirus fusion protein. [PDF]

PLoS One
Mounadi N, Nour H, El Kouali M, Samadi A, Chtita S.   +4 more
europepmc   +1 more source

Structural Preferences and ADMET Regulation of Fluorinated Small-Molecule Drugs. [PDF]

ACS Med Chem Lett
Tao S, Wei L, Wu Y, Lian X, Wu J, Liu Y, Wu F.   +6 more
europepmc   +1 more source

Molecular insights and ADMET profiling of iridoids as candidate leads for erectile dysfunction therapy. [PDF]

J Mol Model
de Oliveira Filho MAC, Silva J, de Oliveira VM, de Sousa DS, da Rocha MN, Marinho MM, Marinho ES.   +6 more
europepmc   +1 more source

Shiny binary modeling platform: a reproducibility-oriented software platform for structured binary modeling with integrated interpretation, validation support, model comparison, and archive export. [PDF]

Front Pharmacol
Du H, Huang X, Liu T, Dolkun A.
europepmc   +1 more source

In Silico Identification of Plant-Derived GPX4 Inhibitors as Potential Ferroptosis Inducers: Molecular Docking, Dynamics, and ADMET Studies. [PDF]

Curr Issues Mol Biol
Antmen ŞE, Öz H, Yalaza C, Canacankatan N.   +3 more
europepmc   +1 more source

Corrigendum to "Computational screening of <i>Sophora flavescens</i> phytochemicals as potential aromatase inhibitors: Molecular docking, ADMET, Network pharmacology, Molecular dynamics simulation, and DFT studies" [Pharmaceutic. Sci. Adv. 4 (2026) 100108]. [PDF]

Pharm Sci Adv
Rashid L, Tasnim J, Mehedi Hasan M, Ismail H, Hossain KR, Sarker S, Younas A, Mujtaba M, Alam MT.   +8 more
europepmc   +1 more source

Zn-Ni metal-organic framework nanosheets@graphene oxide nanocomposite: A promising voltammetric platform for sensitive determination of doxorubicin. [PDF]

ADMET DMPK
Kondori T, Akbarzadeh-T N, Tajik S, Beitollahi H.   +3 more
europepmc   +1 more source

Mapping the avoid-ome: a systematic open-science approach to predictive ADMET. [PDF]

Nat Commun
Fraser JS, Edgar S, Handly LN, Kosuri S, Chodera JD, Murcko M, Walters WP.   +6 more
europepmc   +1 more source

Nevermore: Target-Conditioned Protein-Ligand Representation Learning for Multi-Objective Lead Optimization with Database-Grounded Retrieval. [PDF]

Biology (Basel)
Refahi MS, Toutounchian M, Sokhansanj BA, Yoo H, Brown JR, Ji HF, Rosen GL.   +6 more
europepmc   +1 more source