Catalytic residues in hydrolases: analysis of methods designed for ligand-binding site prediction.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 2, p. 117, doi. 10.1007/s10822-010-9402-0
- By:
- Publication type:
- Article
Works matching IS 0920654X AND DT 2011 AND VI 25 AND IP 2
Results: 8
1
2
DFT calculation of four new potential agents muscarinic of bispyridinium type: structure, synthesis, biological activity, hydration, and relations with the potents W84 and DUO-3O.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 2, p. 145, doi. 10.1007/s10822-010-9406-9
- By:
- Publication type:
- Article
3
Quantitative structure-activity relationship analysis of β-amyloid aggregation inhibitors.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 2, p. 135, doi. 10.1007/s10822-010-9405-x
- By:
- Publication type:
- Article
4
Interaction of clozapine and its nitrenium ion with rat D2 dopamine receptors: in vitro binding and computational study.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 2, p. 163, doi. 10.1007/s10822-010-9407-8
- By:
- Publication type:
- Article
5
Guiding effective decisions: an interview with Matthew Segall, CEO of Optibrium.
- Published in:
- 2011
- By:
- Publication type:
- Interview
6
Structural-dynamical investigation of the ZnuA histidine-rich loop: involvement in zinc management and transport.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 2, p. 181, doi. 10.1007/s10822-010-9409-6
- By:
- Publication type:
- Article
7
Pharmacophore-driven identification of PPARγ agonists from natural sources.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 2, p. 107, doi. 10.1007/s10822-010-9398-5
- By:
- Publication type:
- Article
8
The molecular mechanism studies of chirality effect of PHA-739358 on Aurora kinase A by molecular dynamics simulation and free energy calculations.
- Published in:
- Journal of Computer-Aided Molecular Design, 2011, v. 25, n. 2, p. 171, doi. 10.1007/s10822-010-9408-7
- By:
- Publication type:
- Article