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Results: 1 to 20 of 43

1.

Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.

Zavodszky MI, Sanschagrin PC, Korde RS, Kuhn LA.

J Comput Aided Mol Des. 2002 Dec;16(12):883-902.

PMID:
12825621
[PubMed - indexed for MEDLINE]
2.

The use of protein-ligand interaction fingerprints in docking.

Brewerton SC.

Curr Opin Drug Discov Devel. 2008 May;11(3):356-64. Review.

PMID:
18428089
[PubMed - indexed for MEDLINE]
3.

Guided docking approaches to structure-based design and screening.

Fradera X, Mestres J.

Curr Top Med Chem. 2004;4(7):687-700. Review.

PMID:
15032682
[PubMed - indexed for MEDLINE]
4.

Scoring functions for prediction of protein-ligand interactions.

Wang JC, Lin JH.

Curr Pharm Des. 2013;19(12):2174-82. Review.

PMID:
23016847
[PubMed - indexed for MEDLINE]
5.

Comparing protein-ligand docking programs is difficult.

Cole JC, Murray CW, Nissink JW, Taylor RD, Taylor R.

Proteins. 2005 Aug 15;60(3):325-32. Review.

PMID:
15937897
[PubMed - indexed for MEDLINE]
6.

Structure-based drug design: docking and scoring.

Kroemer RT.

Curr Protein Pept Sci. 2007 Aug;8(4):312-28. Review.

PMID:
17696866
[PubMed - indexed for MEDLINE]
7.

A review of protein-small molecule docking methods.

Taylor RD, Jewsbury PJ, Essex JW.

J Comput Aided Mol Des. 2002 Mar;16(3):151-66. Review.

PMID:
12363215
[PubMed - indexed for MEDLINE]
8.

Scoring functions and their evaluation methods for protein-ligand docking: recent advances and future directions.

Huang SY, Grinter SZ, Zou X.

Phys Chem Chem Phys. 2010 Oct 28;12(40):12899-908. doi: 10.1039/c0cp00151a. Epub 2010 Aug 23. Review.

PMID:
20730182
[PubMed - indexed for MEDLINE]
9.

Importance of molecular computer modeling in anticancer drug development.

Geromichalos GD.

J BUON. 2007 Sep;12 Suppl 1:S101-18. Review.

PMID:
17935268
[PubMed - indexed for MEDLINE]
10.

Identification and mapping of small-molecule binding sites in proteins: computational tools for structure-based drug design.

Sotriffer C, Klebe G.

Farmaco. 2002 Mar;57(3):243-51. Review.

PMID:
11989803
[PubMed - indexed for MEDLINE]
11.

Ligand-protein docking: cancer research at the interface between biology and chemistry.

Glen RC, Allen SC.

Curr Med Chem. 2003 May;10(9):763-7. Review.

PMID:
12678780
[PubMed - indexed for MEDLINE]
12.

Free resources to assist structure-based virtual ligand screening experiments.

Villoutreix BO, Renault N, Lagorce D, Sperandio O, Montes M, Miteva MA.

Curr Protein Pept Sci. 2007 Aug;8(4):381-411. Review.

PMID:
17696871
[PubMed - indexed for MEDLINE]
13.

Theoretical and practical considerations in virtual screening: a beaten field?

Kontoyianni M, Madhav P, Suchanek E, Seibel W.

Curr Med Chem. 2008;15(2):107-16. Review.

PMID:
18220766
[PubMed - indexed for MEDLINE]
14.

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]
15.
16.

Scoring functions for protein-ligand docking.

Jain AN.

Curr Protein Pept Sci. 2006 Oct;7(5):407-20. Review.

PMID:
17073693
[PubMed - indexed for MEDLINE]
17.

Molecular recognition and docking algorithms.

Brooijmans N, Kuntz ID.

Annu Rev Biophys Biomol Struct. 2003;32:335-73. Epub 2003 Jan 28. Review.

PMID:
12574069
[PubMed - indexed for MEDLINE]
18.

Ligand discovery and virtual screening using the program LIDAEUS.

Taylor P, Blackburn E, Sheng YG, Harding S, Hsin KY, Kan D, Shave S, Walkinshaw MD.

Br J Pharmacol. 2008 Mar;153 Suppl 1:S55-67. Epub 2007 Nov 26. Review.

PMID:
18037921
[PubMed - indexed for MEDLINE]
Free PMC Article
19.

Hierarchical docking of databases of multiple ligand conformations.

Lorber DM, Shoichet BK.

Curr Top Med Chem. 2005;5(8):739-49. Review.

PMID:
16101414
[PubMed - indexed for MEDLINE]
Free PMC Article
20.

Flexible ligand docking to multiple receptor conformations: a practical alternative.

Totrov M, Abagyan R.

Curr Opin Struct Biol. 2008 Apr;18(2):178-84. doi: 10.1016/j.sbi.2008.01.004. Epub 2008 Feb 25. Review.

PMID:
18302984
[PubMed - indexed for MEDLINE]
Free PMC Article

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