Design of compound libraries for fragment screening.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 513, doi. 10.1007/s10822-009-9264-5
- By:
- Publication type:
- Article
Works matching IS 0920654X AND DT 2009 AND VI 23 AND IP 8
Results: 14
1
2
Fragment-based lead generation: identification of seed fragments by a highly efficient fragment screening technology.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 501, doi. 10.1007/s10822-009-9288-x
- By:
- Publication type:
- Article
3
Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 491, doi. 10.1007/s10822-009-9283-2
- By:
- Publication type:
- Article
4
Virtual fragment screening: an exploration of various docking and scoring protocols for fragments using Glide.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 527, doi. 10.1007/s10822-009-9281-4
- By:
- Publication type:
- Article
5
Computational fragment-based drug design to explore the hydrophobic sub-pocket of the mitotic kinesin Eg5 allosteric binding site.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 571, doi. 10.1007/s10822-009-9286-z
- By:
- Publication type:
- Article
6
Fragment-based drug discovery.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 453, doi. 10.1007/s10822-009-9292-1
- By:
- Publication type:
- Article
7
Second-generation de novo design: a view from a medicinal chemist perspective.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 593, doi. 10.1007/s10822-009-9291-2
- By:
- Publication type:
- Article
8
Challenges of fragment screening.
- Published in:
- 2009
- By:
- Publication type:
- Editorial
9
Energetic analysis of fragment docking and application to structure-based pharmacophore hypothesis generation.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 541, doi. 10.1007/s10822-009-9268-1
- By:
- Publication type:
- Article
10
Development and NMR validation of minimal pharmacophore hypotheses for the generation of fragment libraries enriched in heparanase inhibitors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 555, doi. 10.1007/s10822-009-9269-0
- By:
- Publication type:
- Article
11
Structural models in the assessment of protein druggability based on HTS data.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 583, doi. 10.1007/s10822-009-9279-y
- By:
- Publication type:
- Article
12
Lessons for fragment library design: analysis of output from multiple screening campaigns.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 603, doi. 10.1007/s10822-009-9280-5
- By:
- Publication type:
- Article
13
The multi-copy simultaneous search methodology: a fundamental tool for structure-based drug design.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 475, doi. 10.1007/s10822-009-9287-y
- By:
- Publication type:
- Article
14
The multiple roles of computational chemistry in fragment-based drug design.
- Published in:
- Journal of Computer-Aided Molecular Design, 2009, v. 23, n. 8, p. 459, doi. 10.1007/s10822-009-9284-1
- By:
- Publication type:
- Article