This issue: Drug Design Data Resource Grand Challenge 4, first of two issues.
- Published in:
- 2019
- By:
- Publication type:
- Editorial
Works matching IS 0920654X AND DT 2019 AND VI 33 AND IP 12
Results: 9
1
2
Exploring fragment-based target-specific ranking protocol with machine learning on cathepsin S.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1095, doi. 10.1007/s10822-019-00247-3
- By:
- Publication type:
- Article
3
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1071, doi. 10.1007/s10822-019-00241-9
- By:
- Publication type:
- Article
4
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1011, doi. 10.1007/s10822-019-00240-w
- By:
- Publication type:
- Article
5
Performance evaluation of molecular docking and free energy calculations protocols using the D3R Grand Challenge 4 dataset.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1031, doi. 10.1007/s10822-019-00232-w
- By:
- Publication type:
- Article
6
Macrocycle modeling in ICM: benchmarking and evaluation in D3R Grand Challenge 4.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1057, doi. 10.1007/s10822-019-00225-9
- By:
- Publication type:
- Article
7
Blinded prediction of protein–ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1021, doi. 10.1007/s10822-019-00223-x
- By:
- Publication type:
- Article
8
Predicting binding poses and affinity ranking in D3R Grand Challenge using PL-PatchSurfer2.0.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1083, doi. 10.1007/s10822-019-00222-y
- By:
- Publication type:
- Article
9
Improving ligand 3D shape similarity-based pose prediction with a continuum solvent model.
- Published in:
- Journal of Computer-Aided Molecular Design, 2019, v. 33, n. 12, p. 1045, doi. 10.1007/s10822-019-00220-0
- By:
- Publication type:
- Article