<p>1116 (31%) of 3570 known interactions docked with a good score. Two-thirds of the 1116 were ligands docking to non-cognate protein structures, showing that the method could do more than re-dock existing drug-target structures.</p
Molecular docking is widely used to discovery novel ligands in structure-based drug design (SBDD) [1...
10. Authors gratefully acknowledge Dr D.Rognan from the University of Strasbourg (CNRS Illkirch, Fra...
Molecular docking is the most frequently used computational method for studying the interactions bet...
Computer-based docking screens are now widely used to discover new ligands for targets of known stru...
An empirical protein-ligand binding affinity estimation method, SCORE, was incorporated into a popul...
<p>Each protein is represented by a column, on which a black cross denotes a known drug docked to th...
Efficient drug discovery programs can be designed by utilizing existing pools of knowledge from the ...
Docking is a computational technique that samples conformations of small molecules in protein bindin...
In drug discovery, where a model of the protein structure is known, molecular docking is a well-esta...
Background: Molecular docking is probably the most popular and profitable approach in computer-aided...
Background: Molecular docking is probably the most popular and profitable approach in computer-aided...
The lack of a deep understanding of how proteins interact remains an important roadblock in advancin...
Background: Molecular docking is probably the most popular and profitable approach in computer-aided...
It is now plausible to dock libraries of 10 million molecules against targets over several days or w...
Protein docking algorithms are assessed by evaluating blind predictions performed during 2007-2009 i...
Molecular docking is widely used to discovery novel ligands in structure-based drug design (SBDD) [1...
10. Authors gratefully acknowledge Dr D.Rognan from the University of Strasbourg (CNRS Illkirch, Fra...
Molecular docking is the most frequently used computational method for studying the interactions bet...
Computer-based docking screens are now widely used to discover new ligands for targets of known stru...
An empirical protein-ligand binding affinity estimation method, SCORE, was incorporated into a popul...
<p>Each protein is represented by a column, on which a black cross denotes a known drug docked to th...
Efficient drug discovery programs can be designed by utilizing existing pools of knowledge from the ...
Docking is a computational technique that samples conformations of small molecules in protein bindin...
In drug discovery, where a model of the protein structure is known, molecular docking is a well-esta...
Background: Molecular docking is probably the most popular and profitable approach in computer-aided...
Background: Molecular docking is probably the most popular and profitable approach in computer-aided...
The lack of a deep understanding of how proteins interact remains an important roadblock in advancin...
Background: Molecular docking is probably the most popular and profitable approach in computer-aided...
It is now plausible to dock libraries of 10 million molecules against targets over several days or w...
Protein docking algorithms are assessed by evaluating blind predictions performed during 2007-2009 i...
Molecular docking is widely used to discovery novel ligands in structure-based drug design (SBDD) [1...
10. Authors gratefully acknowledge Dr D.Rognan from the University of Strasbourg (CNRS Illkirch, Fra...
Molecular docking is the most frequently used computational method for studying the interactions bet...
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