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Publication : journal of computer-aided molecular design

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Academic Journal

Correlation of protein binding pocket properties with hits' chemistries used in generation of ultra-large virtual libraries.

Authors : Song, Robert X.¹ (AUTHOR); Nicklaus, Marc C.² (AUTHOR); Tarasova, Nadya I.¹ (AUTHOR)

Subjects: *Digital libraries; *Protein binding; *Drug discovery

Source: Journal of Computer-Aided Molecular Design. 5/16/2024, Vol. 38 Issue 1, p1-15. 15p.

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Academic Journal

The Role of Zinc Finger Linkers in Zinc Finger Protein Binding to DNA

Authors : Mazen Y. Hamed; Reema Siam; Roza Zaid

Subjects: analytical_chemistry; DNA-Binding Proteins; 0303 health sciences

Source: Journal of Computer-Aided Molecular Design. 35:973-986

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Academic Journal

Biomacromolecular quantitative structure-activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein-protein binding affinity.

Authors : Zhou, Peng¹ ; Wang, Congcong¹; Tian, Feifei²

Subjects: *QSAR models; *Structure-activity relationships; *Protein binding

Source: Journal of Computer-Aided Molecular Design. Jan2013, Vol. 27 Issue 1, p67-78. 12p. 1 Color Photograph, 1 Diagram, 3 Charts, 2 Graphs.

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Academic Journal

Free enthalpies of replacing water molecules in protein binding pockets.

Authors : Riniker, Sereina¹; Barandun, Luzi²; Diederich, François²

Subjects: *Gibbs' free energy; *Protein binding; *Glycosyltransferases

Source: Journal of Computer-Aided Molecular Design. Dec2012, Vol. 26 Issue 12, p1293-1309. 17p. 10 Diagrams, 7 Charts.

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Academic Journal

A ligand’s-eye view of protein binding.

Authors : Clark, Robert D.¹

Subjects: *Protein binding; *Allosteric proteins; *Radioligand assay

Source: Journal of Computer-Aided Molecular Design. Jun2008, Vol. 22 Issue 6/7, p507-521. 15p. 2 Color Photographs, 9 Diagrams, 1 Chart.

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Academic Journal

Prediction of plasma protein binding of drugs using Kier–Hall valence connectivity indices and 4D-fingerprint molecular similarity analyses.

Authors : Jianzhong Liu¹; Liu Yang¹ ; Yi Li²

Subjects: *Cluster analysis (Statistics); *Protein binding; *Protein affinity labeling

Source: Journal of Computer-Aided Molecular Design. Aug2005, Vol. 19 Issue 8, p567-583. 17p. 7 Diagrams, 9 Charts.

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Academic Journal

Peroxisome Proliferator-Activated Receptors target family landscape: A chemometrical approach to ligand selectivity based on protein binding site analysis.

Authors : Pirard, Bernard¹

Subjects: *Peroxisomes; *Proteins; *Protein binding

Source: Journal of Computer-Aided Molecular Design. Nov2003, Vol. 17 Issue 11, p785-796. 12p.

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Academic Journal

Improved mapping of protein binding sites.

Authors : Kortvelyesi, Tamas^1,2; Silberstein, Michael³; Dennis, Sheldon^1,4

Subjects: *Protein binding; *Biochemistry; *Proteins

Source: Journal of Computer-Aided Molecular Design. Feb2003, Vol. 17 Issue 2-4, p173-186. 14p.

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Academic Journal

The role of zinc finger linkers in zinc finger protein binding to DNA.

Authors : Hamed, Mazen Y.¹ (AUTHOR) ; Siam, Reema¹ (AUTHOR); Zaid, Roza¹ (AUTHOR)

Subjects: *Zinc-finger proteins; *DNA-binding proteins; *Amino acid residues

Source: Journal of Computer-Aided Molecular Design. Sep2021, Vol. 35 Issue 9, p973-986. 14p.

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Academic Journal

Biomacromolecular quantitative structure–activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein–protein binding affinity

Authors : Congcong Wang; Chao Yang; Yanrong Ren

Subjects: 0303 health sciences; 03 medical and health sciences; Protein Conformation

Source: Journal of Computer-Aided Molecular Design. 27:67-78

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فلترة النتائج

Correlation of protein binding pocket properties with hits' chemistries used in generation of ultra-large virtual libraries.

The Role of Zinc Finger Linkers in Zinc Finger Protein Binding to DNA

Biomacromolecular quantitative structure-activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein-protein binding affinity.

Free enthalpies of replacing water molecules in protein binding pockets.

A ligand’s-eye view of protein binding.

Prediction of plasma protein binding of drugs using Kier–Hall valence connectivity indices and 4D-fingerprint molecular similarity analyses.

Peroxisome Proliferator-Activated Receptors target family landscape: A chemometrical approach to ligand selectivity based on protein binding site analysis.

Improved mapping of protein binding sites.

The role of zinc finger linkers in zinc finger protein binding to DNA.

Biomacromolecular quantitative structure–activity relationship (BioQSAR): a proof-of-concept study on the modeling, prediction and interpretation of protein–protein binding affinity

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