flexible ligand docking
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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

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

scholarly journals Evaluation of the novel algorithm of flexible ligand docking with moveable target-protein atoms

2017 ◽  
Vol 15 ◽  
pp. 275-285 ◽  
Author(s):  
Alexey V. Sulimov ◽  
Dmitry A. Zheltkov ◽  
Igor V. Oferkin ◽  
Danil C. Kutov ◽  
Ekaterina V. Katkova ◽  
...  
Keyword(s):  
Target Protein ◽  
Ligand Docking ◽  
The Novel ◽  
Flexible Ligand ◽  
Flexible Ligand Docking ◽  
Novel Algorithm

Accounting for Intraligand Interactions in Flexible Ligand Docking with a PMF-Based Scoring Function

2015 ◽  
Vol 55 (10) ◽  
pp. 2121-2137 ◽  
Author(s):  
A. Y. Lizunov ◽  
A. L. Gonchar ◽  
N. I. Zaitseva ◽  
V. V. Zosimov
Keyword(s):  
Scoring Function ◽  
Ligand Docking ◽  
Flexible Ligand ◽  
Flexible Ligand Docking
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