Ligand Binding and Docking Techniques

This area explores computational methods for predicting ligand binding affinities and docking capabilities. Research focuses on improving understanding of interactions between ligands and biological targets.

ligand docking
binding affinities
computational methods
biological interactions
structure-activity

172,345 papers

Parent topic: Advanced Catalysis and Material Science

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Papers Over Time

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Top Papers

AutoDock Vina: Improving The Speed And Accuracy Of Docking With A New Scoring Function, Efficient Optimization, And Multithreading

2009 · 24,060 citations

A Study Of The Conditions And Mechanism Of The Diphenylamine Reaction For The Colorimetric Estimation Of Deoxyribonucleic Acid

1956 · 19,496 citations

Ligand: A Versatile Computerized Approach For Characterization Of Ligand-Binding Systems.

1980 · 8,961 citations

Solid Phase Peptide Synthesis. I. The Synthesis Of A Tetrapeptide

1963 · 6,322 citations

LIGAND: A Versatile Computerized Approach For Characterization Of Ligand-Binding Systems

1980 · 5,974 citations

Comparative Molecular Field Analysis (CoMFA). 1. Effect Of Shape On Binding Of Steroids To Carrier Proteins

1988 · 3,881 citations

Isolation Of Nitric Oxide Synthetase, A Calmodulin-Requiring Enzyme.

1990 · 3,569 citations

The MM/PBSA And MM/GBSA Methods To Estimate Ligand-Binding Affinities

2015 · 3,531 citations

Interactions With Aromatic Rings In Chemical And Biological Recognition

2003 · 3,346 citations

Fluorescamine: A Reagent For Assay Of Amino Acids, Peptides, Proteins, And Primary Amines In The Picomole Range

1972 · 3,172 citations

AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, And Python Bindings

2021 · 3,038 citations

Sulforhodamine B Colorimetric Assay For Cytotoxicity Screening

2006 · 2,927 citations

P450 Superfamily: Update On New Sequences, Gene Mapping, Accession Numbers And Nomenclature

1996 · 2,806 citations

Polyvalent Interactions In Biological Systems: Implications For Design And Use Of Multivalent Ligands And Inhibitors

1998 · 2,771 citations

Structure, Recognition, And Processing Of Cisplatin−DNA Adducts

1999 · 2,592 citations

Oncometabolite 2-Hydroxyglutarate Is A Competitive Inhibitor Of α-Ketoglutarate-Dependent Dioxygenases

2011 · 2,416 citations

Biological Applications Of Ionophores

1976 · 2,148 citations

A Fluorescent Complex Between Ethidium Bromide And Nucleic Acids. Physical-chemical Characterization.

1967 · 2,120 citations

Conformational Analysis Of The Sugar Ring In Nucleosides And Nucleotides. New Description Using The Concept Of Pseudorotation

1972 · 2,101 citations

ZINC: A Free Tool To Discover Chemistry For Biology

2012 · 2,026 citations