CIFDock : A novel CHARMM ‐based flexible receptor–flexible ligand docking protocol

2021 ◽  
Author(s):  
Sai L. Vankayala ◽  
Luke C. Warrensford ◽  
Amanda R. Pittman ◽  
Benjamin C. Pollard ◽  
Fiona L. Kearns ◽  
...  
Keyword(s):  
Ligand Docking ◽  
Flexible Ligand ◽  
Docking Protocol ◽  
Flexible Ligand Docking

CIFDock: A novel CHARMM-based flexible receptor - flexible ligand docking protocol

2021 ◽  
Author(s):  
Sai Lakshmana Vankayala ◽  
Luke Warrensford ◽  
Amanda Pittman ◽  
Joseph Larkin ◽  
Henry Woodcock
Keyword(s):  
Ligand Docking ◽  
Flexible Ligand ◽  
Docking Protocol ◽  
Flexible Ligand Docking

Similarity-driven flexible ligand docking

2000 ◽  
Vol 40 (4) ◽  
pp. 623-636 ◽  
Author(s):  
Xavier Fradera ◽  
Ronald M.A. Knegtel ◽  
Jordi Mestres
Keyword(s):  
Ligand Docking ◽  
Flexible Ligand ◽  
Flexible Ligand Docking

Extracting Information from Flexible Receptor-Flexible Ligand Docking Experiments

2008 ◽  
pp. 104-114 ◽  
Author(s):  
Karina S. Machado ◽  
Evelyn K. Schroeder ◽  
Duncan D. Ruiz ◽  
Ana Wink ◽  
Osmar Norberto de Souza
Keyword(s):  
Ligand Docking ◽  
Flexible Ligand ◽  
Flexible Ligand Docking

Highly Flexible Ligand Docking: Benchmarking of the DockThor Program on the LEADS-PEP Protein–Peptide Data Set

2020 ◽  
Vol 60 (2) ◽  
pp. 667-683 ◽  
Author(s):  
Karina B. Santos ◽  
Isabella A. Guedes ◽  
Ana L. M. Karl ◽  
Laurent E. Dardenne
Keyword(s):  
Ligand Docking ◽  
Data Set ◽  
Flexible Ligand ◽  
Flexible Ligand Docking ◽  
Peptide Data
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