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Works matching IS 0920654X AND DT 2006 AND VI 20 AND IP 6

Results: 5

1

Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling.

Published in:: Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 6, p. 375, doi. 10.1007/s10822-006-9071-1
Publication type:: Article

2

Identification of target-specific bioisosteric fragments from ligand-protein crystallographic data.

Published in:: Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 6, p. 385, doi. 10.1007/s10822-006-9072-0
Publication type:: Article

3

Comparative residue interaction analysis (CoRIA): a 3D-QSAR approach to explore the binding contributions of active site residues with ligands.

Published in:: Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 6, p. 343, doi. 10.1007/s10822-006-9051-5
Publication type:: Article

4

Molecular dynamics simulations on the inhibition of Cyclin-Dependent Kinases 2 and 5 in the presence of activators.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 6, p. 395, doi. 10.1007/s10822-006-9081-z

By:

Zhang, Bing;
Tan, Vincent B. C.;
Lim, Kian Meng;
Tay, Tong Earn

Publication type:

Article

5

Representation of molecular structure using quantum topology with inductive logic programming in structure–activity relationships.

Published in:

Journal of Computer-Aided Molecular Design, 2006, v. 20, n. 6, p. 361, doi. 10.1007/s10822-006-9058-y

By:

Buttingsrud, Bård;
Ryeng, Einar;
King, Ross D.;
Alsberg, Bjørn K.

Publication type:

Article