Marcus Gastreich

Affiliations

BioSolveIT GmbH, An der Ziegelei 79, 53757Sankt Augustin, Germany.

ORCID: 0000-0001-5564-7117

Publications (9)

Magnet for the Needle in Haystack: "Crystal Structure First" Fragment Hits Unlock Active Chemical Matter Using Targeted Exploration of Vast Chemical Spaces.

Journal of medicinal chemistry

Avec: Janis Müller , Raphael Klein , Olga Tarkhanova , Anastasiia Gryniukova , Petro Borysko , Stefan Merkl , Moritz Ruf , Alexander Neumann , Yurii S Moroz , Gerhard Klebe , Serghei Glinca

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

Journal of chemical information and modeling

Avec: Louis Bellmann , Patrick Penner , Matthias Rarey

Neurotensin(8-13) analogs as dual NTS1 and NTS2 receptor ligands with enhanced effects on a mouse model of Parkinson's disease.

European journal of medicinal chemistry

Avec: Toni Kühl , Maya G Georgieva , Harald Hübner , Maria Lazarova , Matthias Vogel , Bodo Haas , Martina I Peeva , Aneliya A Balacheva , Ivan P Bogdanov , Luigi Milella , Maria Ponticelli , Tsvetomir Garev , Immacolata Faraone , Roumyana Detcheva , Borislav Minchev , Polina Petkova-Kirova , Lyubka Tancheva , Reni Kalfin , Atanas G Atanasov , Liudmil Antonov , Tamara I Pajpanova , Kiril Kirilov , Peter Gmeiner , Diana Imhof , Nikolay T Tzvetkov

The next level in chemical space navigation: going far beyond enumerable compound libraries.

Drug discovery today

Avec: Torsten Hoffmann ,

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

Journal of computer-aided molecular design

Avec: Patrick Penner , Virginie Martiny , Louis Bellmann , Florian Flachsenberg , Isabelle Theret , Christophe Meyer , Matthias Rarey

Navigating large chemical spaces in early-phase drug discovery.

Current opinion in structural biology

Avec: Malte Korn , Christiane Ehrt , Fiorella Ruggiu , Matthias Rarey

SAR by Space: Enriching Hit Sets from the Chemical Space.

Molecules (Basel, Switzerland)

Avec: Franca-Maria Klingler , Oleksandr O Grygorenko , Olena Savych , Petro Borysko , Anastasia Griniukova , Kateryna E Gubina , Christian Lemmen , Yurii S Moroz

Carboxamides vs. methanimines: Crystal structures, binding interactions, photophysical studies, and biological evaluation of (indazole-5-yl)methanimines as monoamine oxidase B and acetylcholinesterase inhibitors.

European journal of medicinal chemistry

Avec: Nikolay T Tzvetkov , Hans-Georg Stammler , Maya G Georgieva , Daniela Russo , Immacolata Faraone , Aneliya A Balacheva , Silvia Hristova , Atanas G Atanasov , Luigi Milella , Liudmil Antonov ,

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

Journal of chemical information and modeling

Avec: Patrick Penner , Virginie Martiny , Arnaud Gohier , Pierre Ducrot , David Brown , Matthias Rarey

Réseau de co-auteurs

Matthias Rarey 4 collaborations

Patrick Penner 3 collaborations

Petro Borysko 2 collaborations

Yurii S Moroz 2 collaborations

Louis Bellmann 2 collaborations

Maya G Georgieva 2 collaborations

Aneliya A Balacheva 2 collaborations

Luigi Milella 2 collaborations

Immacolata Faraone 2 collaborations

Atanas G Atanasov 2 collaborations

Liudmil Antonov 2 collaborations

Nikolay T Tzvetkov 2 collaborations

Virginie Martiny 2 collaborations

Janis Müller 1 collaboration

Raphael Klein 1 collaboration

Olga Tarkhanova 1 collaboration

Anastasiia Gryniukova 1 collaboration

Stefan Merkl 1 collaboration

Moritz Ruf 1 collaboration

Alexander Neumann 1 collaboration

Gerhard Klebe 1 collaboration

Serghei Glinca 1 collaboration

Toni Kühl 1 collaboration

Harald Hübner 1 collaboration

Maria Lazarova 1 collaboration

Matthias Vogel 1 collaboration

Bodo Haas 1 collaboration

Martina I Peeva 1 collaboration

Ivan P Bogdanov 1 collaboration

Maria Ponticelli 1 collaboration

Tsvetomir Garev 1 collaboration

Roumyana Detcheva 1 collaboration

Borislav Minchev 1 collaboration

Polina Petkova-Kirova 1 collaboration

Lyubka Tancheva 1 collaboration

Reni Kalfin 1 collaboration

Tamara I Pajpanova 1 collaboration

Kiril Kirilov 1 collaboration

Peter Gmeiner 1 collaboration

Diana Imhof 1 collaboration

Torsten Hoffmann 1 collaboration

Florian Flachsenberg 1 collaboration

Isabelle Theret 1 collaboration

Christophe Meyer 1 collaboration

Malte Korn 1 collaboration

Christiane Ehrt 1 collaboration

Fiorella Ruggiu 1 collaboration

Franca-Maria Klingler 1 collaboration

Oleksandr O Grygorenko 1 collaboration

Olena Savych 1 collaboration

Anastasia Griniukova 1 collaboration

Kateryna E Gubina 1 collaboration

Christian Lemmen 1 collaboration

Hans-Georg Stammler 1 collaboration

Daniela Russo 1 collaboration

Silvia Hristova 1 collaboration

Arnaud Gohier 1 collaboration

Pierre Ducrot 1 collaboration

David Brown 1 collaboration