Display Settings:

Format
Items per page
Sort by

Send to:

Choose Destination

Results: 1 to 20 of 98

1.

Correlation of binding affinities with non-bonded interaction energies of thrombin-inhibitor complexes.

Grootenhuis PD, van Galen PJ.

Acta Crystallogr D Biol Crystallogr. 1995 Jul 1;51(Pt 4):560-6.

PMID:
15299844
[PubMed]
2.

H-BloX: visualizing alignment block entropies.

Zuegge J, Ebeling M, Schneider G.

J Mol Graph Model. 2001;19(3-4):304-6, 379.

PMID:
11449568
[PubMed - indexed for MEDLINE]
3.

Virtual darwinian drug design: QSAR inverse problem, virtual combinatorial chemistry, and computational screening.

de Julian-Ortiz JV.

Comb Chem High Throughput Screen. 2001 May;4(3):295-310. Review.

PMID:
11375744
[PubMed - indexed for MEDLINE]
4.

Virtual Screening for Bioactive Molecules by Evolutionary De Novo Design Special thanks to Neil R. Taylor for his help in preparation of the manuscript.

Schneider G, Clément-Chomienne O, Hilfiger L, Schneider P, Kirsch S, Böhm HJ, Neidhart W.

Angew Chem Int Ed Engl. 2000 Nov 17;39(22):4130-4133. No abstract available.

PMID:
11093229
[PubMed - as supplied by publisher]
5.

The role of the membrane-spanning domain of type I signal peptidases in substrate cleavage site selection.

Carlos JL, Paetzel M, Brubaker G, Karla A, Ashwell CM, Lively MO, Cao G, Bullinger P, Dalbey RE.

J Biol Chem. 2000 Dec 8;275(49):38813-22.

PMID:
10982814
[PubMed - indexed for MEDLINE]
Free Article
6.

Recent advances in structure-based rational drug design.

Gane PJ, Dean PM.

Curr Opin Struct Biol. 2000 Aug;10(4):401-4. Review.

PMID:
10981625
[PubMed - indexed for MEDLINE]
7.

Recent developments in structure-based drug design.

Klebe G.

J Mol Med (Berl). 2000;78(5):269-81. Review.

PMID:
10954199
[PubMed - indexed for MEDLINE]
8.

Shannon entropy--a novel concept in molecular descriptor and diversity analysis.

Godden JW, Bajorath J.

J Mol Graph Model. 2000 Feb;18(1):73-6. No abstract available.

PMID:
10935210
[PubMed - indexed for MEDLINE]
9.

De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks.

Schneider G, Lee ML, Stahl M, Schneider P.

J Comput Aided Mol Des. 2000 Jul;14(5):487-94.

PMID:
10896320
[PubMed - indexed for MEDLINE]
10.

A genetic algorithm for the automated generation of small organic molecules: drug design using an evolutionary algorithm.

Douguet D, Thoreau E, Grassy G.

J Comput Aided Mol Des. 2000 Jul;14(5):449-66.

PMID:
10896317
[PubMed - indexed for MEDLINE]
11.

Simulated molecular evolution in a full combinatorial library.

Illgen K, Enderle T, Broger C, Weber L.

Chem Biol. 2000 Jun;7(6):433-41.

PMID:
10873838
[PubMed - indexed for MEDLINE]
Free Article
12.

Ion channels and epilepsy in man and mouse.

Steinlein OK, Noebels JL.

Curr Opin Genet Dev. 2000 Jun;10(3):286-91. Review.

PMID:
10826987
[PubMed - indexed for MEDLINE]
13.

Structure-based library design: molecular modelling merges with combinatorial chemistry.

Böhm HJ, Stahl M.

Curr Opin Chem Biol. 2000 Jun;4(3):283-6. Review.

PMID:
10826972
[PubMed - indexed for MEDLINE]
14.

Knowledge-based scoring function to predict protein-ligand interactions.

Gohlke H, Hendlich M, Klebe G.

J Mol Biol. 2000 Jan 14;295(2):337-56.

PMID:
10623530
[PubMed - indexed for MEDLINE]
15.

Bridging the gap - from ion channels to networks and behaviour.

Grillner S.

Curr Opin Neurobiol. 1999 Dec;9(6):663-9. Review.

PMID:
10607645
[PubMed - indexed for MEDLINE]
16.

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking.

Kramer B, Rarey M, Lengauer T.

Proteins. 1999 Nov 1;37(2):228-41.

PMID:
10584068
[PubMed - indexed for MEDLINE]
17.

Measuring molecular information.

Schneider TD.

J Theor Biol. 1999 Nov 7;201(1):87-92. No abstract available.

PMID:
10534438
[PubMed - indexed for MEDLINE]
18.

Structure-based drug design: combinatorial chemistry and molecular modeling.

Kirkpatrick DL, Watson S, Ulhaq S.

Comb Chem High Throughput Screen. 1999 Aug;2(4):211-21. Review.

PMID:
10469881
[PubMed - indexed for MEDLINE]
19.

Exhaustive docking of molecular fragments with electrostatic solvation.

Majeux N, Scarsi M, Apostolakis J, Ehrhardt C, Caflisch A.

Proteins. 1999 Oct 1;37(1):88-105.

PMID:
10451553
[PubMed - indexed for MEDLINE]
20.

Development of filter functions for protein-ligand docking.

Stahl M, Böhm HJ.

J Mol Graph Model. 1998 Jun;16(3):121-32.

PMID:
10434251
[PubMed - indexed for MEDLINE]

Display Settings:

Format
Items per page
Sort by

Send to:

Choose Destination

Supplemental Content

Write to the Help Desk