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Items: 8

1.

Characterisation of de novo mutations in the C-terminal domain of proprotein convertase subtilisin/kexin type 9.

Geschwindner S, Andersson GM, Beisel HG, Breuer S, Hallberg C, Kihlberg BM, Lindqvist AM, O'Mahony G, Plowright AT, Raubacher F, Knecht W.

Protein Eng Des Sel. 2015 May;28(5):117-25. doi: 10.1093/protein/gzv008. Epub 2015 Mar 4.

PMID:
25744035
2.

Scaffold hopping by fragment replacement.

Vainio MJ, Kogej T, Raubacher F, Sadowski J.

J Chem Inf Model. 2013 Jul 22;53(7):1825-35. doi: 10.1021/ci4001019. Epub 2013 Jul 11.

PMID:
23826858
3.

Automated recycling of chemistry for virtual screening and library design.

Vainio MJ, Kogej T, Raubacher F.

J Chem Inf Model. 2012 Jul 23;52(7):1777-86. doi: 10.1021/ci300157m. Epub 2012 Jul 2.

PMID:
22657574
4.

Postprocessing of docked protein-ligand complexes using implicit solvation models.

Lindström A, Edvinsson L, Johansson A, Andersson CD, Andersson IE, Raubacher F, Linusson A.

J Chem Inf Model. 2011 Feb 28;51(2):267-82. doi: 10.1021/ci100354x. Epub 2011 Feb 10.

PMID:
21309544
5.

A multivariate approach to investigate docking parameters' effects on docking performance.

Andersson CD, Thysell E, Lindström A, Bylesjö M, Raubacher F, Linusson A.

J Chem Inf Model. 2007 Jul-Aug;47(4):1673-87. Epub 2007 Jun 9.

PMID:
17559207
6.

State-of-the-art tools for computational site of metabolism predictions: comparative analysis, mechanistical insights, and future applications.

Afzelius L, Arnby CH, Broo A, Carlsson L, Isaksson C, Jurva U, Kjellander B, Kolmodin K, Nilsson K, Raubacher F, Weidolf L.

Drug Metab Rev. 2007;39(1):61-86.

PMID:
17364881
7.

Structural analysis of CYP2C9 and CYP2C5 and an evaluation of commonly used molecular modeling techniques.

Afzelius L, Raubacher F, Karlén A, Jørgensen FS, Andersson TB, Masimirembwa CM, Zamora I.

Drug Metab Dispos. 2004 Nov;32(11):1218-29.

PMID:
15483192
8.

Principles and methods of docking and ligand design.

Krumrine J, Raubacher F, Brooijmans N, Kuntz I.

Methods Biochem Anal. 2003;44:443-76. Review. No abstract available.

PMID:
12647399

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