Prospective evaluation of shape similarity based pose prediction method in D3R Grand Challenge 2015.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 685, doi. 10.1007/s10822-016-9931-2
- By:
- Publication type:
- Article
Works matching IS 0920654X AND DT 2016 AND VI 30 AND IP 9
Results: 14
1
2
Optimal strategies for virtual screening of induced-fit and flexible target in the 2015 D3R Grand Challenge.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 695, doi. 10.1007/s10822-016-9941-0
- By:
- Publication type:
- Article
3
Binding-affinity predictions of HSP90 in the D3R Grand Challenge 2015 with docking, MM/GBSA, QM/MM, and free-energy simulations.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 707, doi. 10.1007/s10822-016-9942-z
- By:
- Publication type:
- Article
4
Interaction with specific HSP90 residues as a scoring function: validation in the D3R Grand Challenge 2015.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 731, doi. 10.1007/s10822-016-9943-y
- By:
- Publication type:
- Article
5
D3R grand challenge 2015: Evaluation of protein-ligand pose and affinity predictions.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 651, doi. 10.1007/s10822-016-9946-8
- By:
- Publication type:
- Article
6
Large scale free energy calculations for blind predictions of protein-ligand binding: the D3R Grand Challenge 2015.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 743, doi. 10.1007/s10822-016-9952-x
- By:
- Publication type:
- Article
7
Yada: a novel tool for molecular docking calculations.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 753, doi. 10.1007/s10822-016-9953-9
- By:
- Publication type:
- Article
8
A D3R prospective evaluation of machine learning for protein-ligand scoring.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 761, doi. 10.1007/s10822-016-9960-x
- By:
- Publication type:
- Article
9
DockBench as docking selector tool: the lesson learned from D3R Grand Challenge 2015.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 773, doi. 10.1007/s10822-016-9966-4
- By:
- Publication type:
- Article
10
Predicting binding poses and affinities for protein - ligand complexes in the 2015 D3R Grand Challenge using a physical model with a statistical parameter estimation.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 791, doi. 10.1007/s10822-016-9976-2
- By:
- Publication type:
- Article
11
Docking-undocking combination applied to the D3R Grand Challenge 2015.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 805, doi. 10.1007/s10822-016-9979-z
- By:
- Publication type:
- Article
12
Improved pose and affinity predictions using different protocols tailored on the basis of data availability.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 817, doi. 10.1007/s10822-016-9982-4
- By:
- Publication type:
- Article
13
Molecular docking performance evaluated on the D3R Grand Challenge 2015 drug-like ligand datasets.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 829, doi. 10.1007/s10822-016-9983-3
- By:
- Publication type:
- Article
14
Docking pose selection by interaction pattern graph similarity: application to the D3R grand challenge 2015.
- Published in:
- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 9, p. 669, doi. 10.1007/s10822-016-9930-3
- By:
- Publication type:
- Article