Marcus Gastreich

1.0k total citations
22 papers, 786 citations indexed

About

Marcus Gastreich is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Marcus Gastreich has authored 22 papers receiving a total of 786 indexed citations (citations by other indexed papers that have themselves been cited), including 9 papers in Molecular Biology, 9 papers in Computational Theory and Mathematics and 8 papers in Materials Chemistry. Recurrent topics in Marcus Gastreich's work include Computational Drug Discovery Methods (9 papers), Boron and Carbon Nanomaterials Research (6 papers) and Chemical Synthesis and Analysis (4 papers). Marcus Gastreich is often cited by papers focused on Computational Drug Discovery Methods (9 papers), Boron and Carbon Nanomaterials Research (6 papers) and Chemical Synthesis and Analysis (4 papers). Marcus Gastreich collaborates with scholars based in Germany, United States and Canada. Marcus Gastreich's co-authors include Torsten Hoffmann, Christel M. Marian, Matthias Rarey, Nikolay Tzvetkov, Julian D. Gale, Holger Claußen, Christian Lemmen, Christa E. Müller, Sonja Hinz and Hans Briem and has published in prestigious journals such as Physical review. B, Condensed matter, The Journal of Physical Chemistry and Journal of Medicinal Chemistry.

In The Last Decade

Marcus Gastreich

22 papers receiving 750 citations

Peers

Countries citing papers authored by Marcus Gastreich

Since Specialization

Citations

This map shows the geographic impact of Marcus Gastreich's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Marcus Gastreich with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Marcus Gastreich more than expected).

Fields of papers citing papers by Marcus Gastreich

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Marcus Gastreich. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Marcus Gastreich. The network helps show where Marcus Gastreich may publish in the future.

Co-authorship network of co-authors of Marcus Gastreich

This figure shows the co-authorship network connecting the top 25 collaborators of Marcus Gastreich. A scholar is included among the top collaborators of Marcus Gastreich based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Marcus Gastreich. Marcus Gastreich is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

#	Work	Indexed citations
1	Magnet for the Needle in Haystack: “Crystal Structure First” Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces 2022 ·Journal of Medicinal Chemistry ·(unknown), (unknown), (unknown), (unknown), Petro Borysko, (unknown), (unknown), Alexander Neumann, Marcus Gastreich, Yurii S. Moroz, G. Klebe, (unknown)	26
2	FastGrow: on-the-fly growing and its application to DYRK1A 2022 ·Journal of Computer-Aided Molecular Design ·Patrick Penner, Virginie Martiny, (unknown), Florian Flachsenberg, Marcus Gastreich, (unknown), Christophe Meyer, Matthias Rarey	8
3	SAR by Space: Enriching Hit Sets from the Chemical Space 2019 ·Molecules ·Franca‐Maria Klingler, Marcus Gastreich, Oleksandr O. Grygorenko, Olena Savych, Petro Borysko, (unknown), K.E. Gubina, Christian Lemmen, Yurii S. Moroz	26
4	The next level in chemical space navigation: going far beyond enumerable compound libraries 2019 ·Drug Discovery Today ·Torsten Hoffmann, Marcus Gastreich	149
5	New Caspase-1 inhibitor by scaffold hopping into bio-inspired 3D-fragment space 2017 ·Bioorganic & Medicinal Chemistry Letters ·(unknown), L. Chantalat, (unknown), (unknown), Jean‐François Fournier, Marcus Gastreich, Craig S. Harris, T. Isabet, (unknown), E. Thoreau, Didier Roche, Vincent Rodeschini	7
6	Crystal structures, binding interactions, and ADME evaluation of brain penetrant N -substituted indazole-5-carboxamides as subnanomolar, selective monoamine oxidase B and dual MAO-A/B inhibitors 2017 ·European Journal of Medicinal Chemistry ·Nikolay Tzvetkov, Hans‐Georg Stammler, Beate Neumann, (unknown), Liudmil Antonov, Marcus Gastreich	55
7	Indazole- and Indole-5-carboxamides: Selective and Reversible Monoamine Oxidase B Inhibitors with Subnanomolar Potency 2014 ·Journal of Medicinal Chemistry ·Nikolay Tzvetkov, Sonja Hinz, (unknown), Marcus Gastreich, Christa E. Müller	86
8	Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function 2011 ·Journal of Computer-Aided Molecular Design ·Nadine Schneider, Sally Hindle, Gudrun Lange, Robert J. Klein, (unknown), Hans Briem, (unknown), Holger Claußen, Marcus Gastreich, Christian Lemmen, Matthias Rarey	114
9	KnowledgeSpace - a publicly available virtual chemistry space 2010 ·Journal of Cheminformatics ·(unknown), Holger Claußen, Marcus Gastreich, Christian Lemmen	15
10	Ultrafast de novo docking combining pharmacophores and combinatorics 2007 ·Journal of Computer-Aided Molecular Design ·Marcus Gastreich, (unknown), Hans Briem, Holger Claußen	23
11	The FlexX Database Docking Environment - Rational Extraction of Receptor Based Pharmacophores 2004 ·Current Drug Discovery Technologies ·Holger Claußen, Marcus Gastreich, (unknown), Jonathan Greene, Sally Hindle, Christian Lemmen	23
12	Automated Drawing of Structural Molecular Formulas under Constraints 2004 ·Journal of Chemical Information and Computer Sciences ·(unknown), Marcus Gastreich, Matthias Rarey	91
13	Quantum Chemical Investigation of Initial Reactions between the Molecular Precursor TADB and Ammonia. 1. Gas-Phase Reactions 2002 ·The Journal of Physical Chemistry A ·(unknown), Marcus Gastreich, Christel M. Marian	5
14	Quantitative Structure–Property Relationships in Boron Nitrides: The 15N- and 11B Chemical Shifts 2001 ·Solid State Nuclear Magnetic Resonance ·Christel M. Marian, Marcus Gastreich	18
15	A systematic theoretical study of molecular Si/N, B/N, and Si/B/N(H) compounds and parameterisation of a force-field for molecules and solids 2000 ·Journal of Molecular Structure THEOCHEM ·Christel M. Marian, Marcus Gastreich	11
16	Empirical two-body potential for solid silicon nitride, boron nitride, and borosilazane modifications 2000 ·Physical review. B, Condensed matter ·Christel M. Marian, Marcus Gastreich, Julian D. Gale	61
17	Reactions in the initial stage of the CVD of BN — a quantum chemical investigation 2000 ·Physical Chemistry Chemical Physics ·(unknown), Marcus Gastreich, Christel M. Marian	13
18	Simulation of the Solid State Vibrational Spectra of Aminodichloroborane and Ammonia Boron Trichloride 2000 ·Zeitschrift für anorganische und allgemeine Chemie ·(unknown), Marcus Gastreich, Christel M. Marian	3
19	Ab initio prediction of15N-NMR chemical shift in ?-boron nitride based on an analysis of connectivities 1998 ·Journal of Computational Chemistry ·Marcus Gastreich, Christel M. Marian	19
20	Structural Properties of [(Trichlorosilyl)amino]dichloroborane 1996 ·The Journal of Physical Chemistry ·Max Mühlhäuser, Marcus Gastreich, Christel M. Marian, (unknown), Martin Jansen	10

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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