Author

Marcus Goraseb

BioSolveIT - Cited by 1,144 - drug design - AI - chemical spaces - medicinal chemistry

Biography

Dr. Marcus Goraseb is currently working at Medicine Department. Marcus Goraseb is research interests includes Medicine in Luminescence. Marcus Goraseb serving as an editorial member and reviewer of several international reputed journals. Marcus Goraseb has successfully completed his Administrative responsibilities. Marcus Goraseb has authored of many research articles/books related to Medicine.
Title
Cited by
Year
Virtual screening in drug discovery
J Alvarez, B ShoichetCRC press, 2005200
182
2005
The next level in chemical space navigation: going far beyond enumerable compound libraries
T Hoffmann, M GastreichDrug discovery today 24 (5), 1148-1156, 2019201
158
2019
Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function
N Schneider, S Hindle, G Lange, R Klein, J Albrecht, H Briem, K Beyer, ...Journal of computer-aided molecular design 26, 701-723, 2012201
149
2012
Automated drawing of structural molecular formulas under constraints
PC Fricker, M Gastreich, M RareyJournal of chemical information and computer sciences 44 (3), 1065-1078, 2004200
110
2004
Indazole-and indole-5-carboxamides: Selective and reversible monoamine oxidase B inhibitors with subnanomolar potency
NT Tzvetkov, S Hinz, P Küppers, M Gastreich, CE MüllerJournal of Medicinal Chemistry 57 (15), 6679-6703, 2014201
77
2014
Crystal structures, binding interactions, and ADME evaluation of brain penetrant N-substituted indazole-5-carboxamides as subnanomolar, selective monoamine …
NT Tzvetkov, HG Stammler, B Neumann, S Hristova, L Antonov, ...European journal of medicinal chemistry 127, 470-492, 2017201
45
2017
Ultrafast de novo docking combining pharmacophores and combinatorics
M Gastreich, M Lilienthal, H Briem, H ClaussenJournal of Computer-Aided Molecular Design 20, 717-734, 2006200
42
2006
SAR by space: enriching hit sets from the chemical space
FM Klingler, M Gastreich, OO Grygorenko, O Savych, P Borysko, ...Molecules 24 (17), 3096, 2019201
25
2019
Comparison of combinatorial fragment spaces and its application to ultralarge make-on-demand compound catalogs
L Bellmann, P Penner, M Gastreich, M RareyJournal of Chemical Information and Modeling 62 (3), 553-566, 2022202
15
2022
KnowledgeSpace-a publicly available virtual chemistry space
C Detering, H Claussen, M Gastreich, C LemmenJournal of Cheminformatics 2 (1), 1-1, 2010201
13
2010
Magnet for the needle in haystack:“Crystal structure first” Fragment hits unlock active chemical matter using targeted exploration of vast chemical spaces
J Müller, R Klein, O Tarkhanova, A Gryniukova, P Borysko, S Merkl, ...Journal of Medicinal Chemistry 65 (23), 15663-15678, 2022202
11
2022
Carboxamides vs. methanimines: crystal structures, binding interactions, photophysical studies, and biological evaluation of (indazole-5-yl) methanimines as monoamine oxidase B …
NT Tzvetkov, HG Stammler, MG Georgieva, D Russo, I Faraone, ...European journal of medicinal chemistry 179, 404-422, 2019201
8
2019
New Caspase-1 inhibitor by scaffold hopping into bio-inspired 3D-fragment space
A Brethon, L Chantalat, O Christin, L Clary, JF Fournier, M Gastreich, ...Bioorganic & Medicinal Chemistry Letters 27 (24), 5373-5377, 2017201
8
2017
Shape-based descriptors for efficient structure-based fragment growing
P Penner, V Martiny, A Gohier, M Gastreich, P Ducrot, D Brown, M RareyJournal of Chemical Information and Modeling 60 (12), 6269-6281, 2020202
5
2020
Addressing the virtual screening challenge: the flex* approach
M Gastreich, C Lemmen, H Briem, M RareyVirtual screening in drug discovery, 2005200
4
2005
FlexX-docking: Past, present and planned technological advancements.
C Lemmen, SA Hindle, M Gastreich, I Dramburg, H ClaussenABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 228, U507-U507, 2004200
3
2004
Perspectives from Medicinal Chemistry
NA Meanwell, M Gastreich, M Rarey, M Devereux, PLA Popelier, ...Bioisosteres in Medicinal Chemistry, 17-30, 010
2
2012
FastGrow: on-the-fly growing and its application to DYRK1A
P Penner, V Martiny, L Bellmann, F Flachsenberg, M Gastreich, I Theret, ...Journal of Computer-Aided Molecular Design 36 (9), 639-651, 0
2
2022
Navigating large chemical spaces in early-phase drug discovery
M Korn, C Ehrt, F Ruggiu, M Gastreich, M RareyCurrent Opinion in Structural Biology 80, 02578, 2023202
1
2023
COMP 84-Recore: Instant 3-D scaffold hopping using replacement fragments
C Lemmen, C Detering, M Gastreich, PR OledzkiABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 236, 2008200
1
2008

Referred From: https://scholar.google.com/citations?user=EaDQQW8AAAAJ&hl=en

Cited by
Citations 1144
h-index 16
i10-index 20
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