Marcus Gastreich

Orcid: 0000-0001-5564-7117

According to our database¹, Marcus Gastreich authored at least 9 papers between 1998 and 2022.

Collaborative distances:

Dijkstra number² of five.
Erdős number³ of four.

Timeline

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In proceedings

Article

PhD thesis

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Bibliography

2022

Comparison of Combinatorial Fragment Spaces and Its Application to Ultralarge Make-on-Demand Compound Catalogs.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., 2022

FastGrow: on-the-fly growing and its application to DYRK1A.

[BibT_eX]

[DOI]

J. Comput. Aided Mol. Des., 2022

2020

Shape-Based Descriptors for Efficient Structure-Based Fragment Growing.

[BibT_eX]

[DOI]

J. Chem. Inf. Model., 2020

2012

Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function.

[BibT_eX]

[DOI]

J. Comput. Aided Mol. Des., 2012

2010

KnowledgeSpace - a publicly available virtual chemistry space.

[BibT_eX]

[DOI]

J. Cheminformatics, 2010

2006

Ultrafast de novo docking combining pharmacophores and combinatorics.

[BibT_eX]

[DOI]

J. Comput. Aided Mol. Des., 2006

2004

Automated Drawing of Structural Molecular Formulas under Constraints.

[BibT_eX]

[DOI]

Patrick C. Fricker

Marcus Gastreich

Matthias Rarey

J. Chem. Inf. Model., 2004

2002

Werkzeuge zur Modellierung von Siliciumbornitrid-Keramiken - Entwicklung von Mehrkörperpotenzialen und Berechnungen zur NMR-chemischen Verschiebung.

[BibT_eX]

Marcus Gastreich

GMD research series 23/2001, GMD, ISBN: 978-3-88457-406-5, 2002

1998

Ab initio prediction of 15N-NMR chemical shift in -boron nitride based on an analysis of connectivities.

[BibT_eX]

[DOI]

Marcus Gastreich

Christel M. Marian

J. Comput. Chem., 1998

Marcus Gastreich

Timeline

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Bibliography

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