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A Point Cloud Graph Neural Network for Protein–Ligand Binding Site Prediction.

Authors : Zhao, Yanpeng¹ (AUTHOR) ; He, Song¹ (AUTHOR) ; Xing, Yuting² (AUTHOR)

Subjects: *Graph neural networks; *Drug discovery; *Binding sites

Source: International Journal of Molecular Sciences. Sep2024, Vol. 25 Issue 17, p9280. 17p.

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KLF14 and SREBF-1 Binding Site Associations with Orphan Receptor Promoters in Metabolic Syndrome.

Authors : Garcia-Coste, Julio Jesús^1,2 (AUTHOR); Villafaña-Rauda, Santiago^2,3 (AUTHOR); Aguayo-Cerón, Karla Aidee^1,3 (AUTHOR)

Subjects: *G protein coupled receptors; *Binding sites; *Genetic regulation

Source: International Journal of Molecular Sciences. Apr2025, Vol. 26 Issue 7, p2849. 35p.

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The Increase in the Peroxidase Activity of the Cytochrome C with Substitutions in the Universal Binding Site Is Associated with Changes in the Ability to Interact with External Ligands.

Authors : Chertkova, Rita V.¹ (AUTHOR) ; Oleynikov, Ilya P.² (AUTHOR) ; Pakhomov, Alexey A.¹ (AUTHOR)

Subjects: *Cytochrome oxidase; *Magnetic circular dichroism; *Ligand binding (Biochemistry)

Source: International Journal of Molecular Sciences. Aug2024, Vol. 25 Issue 15, p8237. 23p.

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Naturally Occurring Angiotensin Peptides Enhance the SARS-CoV-2 Spike Protein Binding to Its Receptors.

Authors : Oliveira, Katelin X.¹ (AUTHOR); Bablu, Fariha E.^1,2 (AUTHOR); Gonzales, Emily S.^1,3 (AUTHOR)

Subjects: *SARS-CoV-2; *COVID-19; *Angiotensin receptors

Source: International Journal of Molecular Sciences. Jul2025, Vol. 26 Issue 13, p6067. 14p.

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Molecular Determinants of the Human Retinal Pigment Epithelium Cell Fate and Potential Pharmacogenomic Targets for Precision Medicine.

Authors : Zibetti, Cristina¹ (AUTHOR)

Subjects: *Macular degeneration; *Cell determination; *Binding site assay

Source: International Journal of Molecular Sciences. Jun2025, Vol. 26 Issue 12, p5817. 33p.

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Molecular Characterization and Functional Analysis of Odorant-Binding Proteins in Ectropis grisescens.

Authors : Zhang, Fangmei¹ (AUTHOR); Sun, Haohan^1,2 (AUTHOR); Geng, Shubao^1,3 (AUTHOR)

Subjects: *Odorant-binding proteins; *Conserved sequences (Genetics); *Signal peptides

Source: International Journal of Molecular Sciences. May2025, Vol. 26 Issue 10, p4568. 18p.

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Experimental Conditions to Retrieve Intrinsic Cooperativity α Directly from Single Binding Assay Data Exemplified by the Ternary Complex Formation of FKBP12, MAPRE1 and Macrocyclic Molecular Glues.

Authors : Schnatwinkel, Jan¹ (AUTHOR); Stein, Richard R.² (AUTHOR); Salcius, Michael³ (AUTHOR)

Subjects: *Binding site assay; *Carrier proteins; *Drug discovery

Source: International Journal of Molecular Sciences. Apr2025, Vol. 26 Issue 7, p2936. 32p.

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Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site.

Authors : Sevrioukova, Irina

Subjects: CYP3A4; crystal structure; fluorol

Source: International Journal of Molecular Sciences. 23(20)

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Unveiling the Role of RNA Recognition Motif Proteins in Orchestrating Nucleotide-Binding Site and Leucine-Rich Repeat Protein Gene Pairs and Chloroplast Immunity Pathways: Insights into Plant Defense Mechanisms.

Authors : Gu, Fengwei^1,2 (AUTHOR) ; Han, Zhikai^1,2 (AUTHOR) ; Zou, Xiaodi^1,2 (AUTHOR)

Subjects: *Chloroplasts; *Plant defenses; *Rice blast disease

Source: International Journal of Molecular Sciences. May2024, Vol. 25 Issue 10, p5557. 14p.

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Exploring the Binding Mechanism of ADGRG2 Through Metadynamics and Biochemical Analysis.

Authors : Zhang, Chao¹ (AUTHOR) ; Zhang, Ru¹ (AUTHOR) ; Qi, Yuanyuan¹ (AUTHOR)

Subjects: *Drug design; *Binding site assay; *Small molecules

Source: International Journal of Molecular Sciences. Jan2025, Vol. 26 Issue 1, p167. 21p.

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A Point Cloud Graph Neural Network for Protein–Ligand Binding Site Prediction.

KLF14 and SREBF-1 Binding Site Associations with Orphan Receptor Promoters in Metabolic Syndrome.

The Increase in the Peroxidase Activity of the Cytochrome C with Substitutions in the Universal Binding Site Is Associated with Changes in the Ability to Interact with External Ligands.

Naturally Occurring Angiotensin Peptides Enhance the SARS-CoV-2 Spike Protein Binding to Its Receptors.

Molecular Determinants of the Human Retinal Pigment Epithelium Cell Fate and Potential Pharmacogenomic Targets for Precision Medicine.

Molecular Characterization and Functional Analysis of Odorant-Binding Proteins in Ectropis grisescens.

Experimental Conditions to Retrieve Intrinsic Cooperativity α Directly from Single Binding Assay Data Exemplified by the Ternary Complex Formation of FKBP12, MAPRE1 and Macrocyclic Molecular Glues.

Crystal Structure of CYP3A4 Complexed with Fluorol Identifies the Substrate Access Channel as a High-Affinity Ligand Binding Site.

Unveiling the Role of RNA Recognition Motif Proteins in Orchestrating Nucleotide-Binding Site and Leucine-Rich Repeat Protein Gene Pairs and Chloroplast Immunity Pathways: Insights into Plant Defense Mechanisms.

Exploring the Binding Mechanism of ADGRG2 Through Metadynamics and Biochemical Analysis.

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