How sophisticated should a scoring function be to ensure successful docking, scoring and virtual screening?
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 329, doi. 10.1007/s00894-008-0390-0
- By:
- Publication type:
- Article
Works matching IS 16102940 AND DT 2009 AND VI 15 AND IP 3
Results: 10
1
2
A very large C-loop in EGF domain IV is characteristic of the P28 family of ookinete surface proteins.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 309, doi. 10.1007/s00894-008-0392-y
- By:
- Publication type:
- Article
3
AM1* parameters for bromine and iodine.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 295, doi. 10.1007/s00894-008-0419-4
- By:
- Publication type:
- Article
4
Homology modeling and molecular dynamics study on N-acetylneuraminate lyase.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 323, doi. 10.1007/s00894-008-0398-5
- By:
- Publication type:
- Article
5
Exploring the binding of HIV-1 integrase inhibitors by comparative residue interaction analysis (CoRIA).
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 233, doi. 10.1007/s00894-008-0399-4
- By:
- Publication type:
- Article
6
Docking studies suggest ligand-specific δ-opioid receptor conformations.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 267, doi. 10.1007/s00894-008-0396-7
- By:
- Publication type:
- Article
7
Effects of tryptophan residue fluorination on streptavidin stability and biotin–streptavidin interactions via molecular dynamics simulations.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 257
- By:
- Publication type:
- Article
8
The effect of ring size on vibrational spectroscopy and hydrogen bonding properties for the complexes between small ring carbonyl compounds with HF and HCl: Theoretical analysis.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 247, doi. 10.1007/s00894-008-0359-z
- By:
- Publication type:
- Article
9
Theoretical study on the ground state intramolecular proton transfer (IPT) and solvation effect in two Schiff bases formed by 2-aminopyridine with 2-hydroxy-1- naphthaldehyde and 2-hydroxy salicylaldehyde.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 223, doi. 10.1007/s00894-008-0397-6
- By:
- Publication type:
- Article
10
Computer-based design of novel HIV-1 entry inhibitors: neomycin conjugated to arginine peptides at two specific sites.
- Published in:
- Journal of Molecular Modeling, 2009, v. 15, n. 3, p. 281, doi. 10.1007/s00894-008-0401-1
- By:
- Publication type:
- Article