d3r grand challenge 2015
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DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015

2016 ◽  
Vol 30 (9) ◽  
pp. 773-789 ◽  
Author(s):  
Veronica Salmaso ◽  
Mattia Sturlese ◽  
Alberto Cuzzolin ◽  
Stefano Moro
Keyword(s):  
Grand Challenge ◽  
D3r Grand Challenge 2015

scholarly journals D3R grand challenge 2015: Evaluation of protein–ligand pose and affinity predictions

2016 ◽  
Vol 30 (9) ◽  
pp. 651-668 ◽  
Author(s):  
Symon Gathiaka ◽  
Shuai Liu ◽  
Michael Chiu ◽  
Huanwang Yang ◽  
Jeanne A. Stuckey ◽  
...  
Keyword(s):  
Grand Challenge ◽  
D3r Grand Challenge 2015

scholarly journals Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations

2016 ◽  
Vol 30 (9) ◽  
pp. 707-730 ◽  
Author(s):  
Majda Misini Ignjatović ◽  
Octav Caldararu ◽  
Geng Dong ◽  
Camila Muñoz-Gutierrez ◽  
Francisco Adasme-Carreño ◽  
...  
Keyword(s):  
Free Energy ◽  
Binding Affinity ◽  
Grand Challenge ◽  
Energy Simulations ◽  
D3r Grand Challenge 2015

scholarly journals Large scale free energy calculations for blind predictions of protein–ligand binding: the D3R Grand Challenge 2015

2016 ◽  
Vol 30 (9) ◽  
pp. 743-751 ◽  
Author(s):  
Nanjie Deng ◽  
William F. Flynn ◽  
Junchao Xia ◽  
R. S. K. Vijayan ◽  
Baofeng Zhang ◽  
...  
Keyword(s):  
Free Energy ◽  
Ligand Binding ◽  
Large Scale ◽  
Free Energy Calculations ◽  
Grand Challenge ◽  
Energy Calculations ◽  
Scale Free ◽  
D3r Grand Challenge 2015
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