Matthieu Schapira
Overview
Explore the profile of Matthieu Schapira including associated specialties, affiliations and a list of published articles.
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137
Citations
5402
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Recent Articles
1.
Kramer C, Chodera J, Damm-Ganamet K, Gilson M, Gunther J, Lessel U, et al.
J Chem Inf Model
. 2025 Feb;
65(5):2180-2190.
PMID: 39951479
Computational tools for structure-based drug design (SBDD) are widely used in drug discovery and can provide valuable insights to advance projects in an efficient and cost-effective manner. However, despite the...
2.
Selvaratnam L, Willson T, Schapira M
J Med Chem
. 2025 Feb;
68(4):4022-4039.
PMID: 39933052
Helicases are essential motor enzymes that couple nucleoside-triphosphate hydrolysis with DNA or RNA strand unwinding. Helicases are integral to replication, transcription, splicing, and translation of the genome, play crucial roles...
3.
Wang X, Sun J, Ahmad S, Yang D, Li F, Chan U, et al.
bioRxiv
. 2025 Feb;
PMID: 39896675
We report an enantioselective protein affinity selection mass spectrometry screening approach (EAS-MS) that enables the detection of weak binders, informs about selectivity, and generates orthogonal confirmation of binding. After method...
4.
Mettu A, Glavatskikh M, Wang X, Lara Ordonez A, Li F, Chau I, et al.
Chem Sci
. 2025 Jan;
16(8):3430-3439.
PMID: 39877816
Critical Assessment of Computational Hit-Finding Experiments (CACHE) Challenges emerged as real-life stress tests for computational hit-finding strategies. In CACHE Challenge #1, 23 participants contributed their original workflows to identify small-molecule...
5.
Kwak H, Liu L, Schapira M
Database (Oxford)
. 2024 Dec;
2024.
PMID: 39657145
Deciphering pathway-phenotype associations is critical for a system-wide understanding of cells and the chemistry of life. An approach to reach this goal is to systematically modulate pathways pharmacologically. The targeted...
6.
Li F, Ackloo S, Arrowsmith C, Ban F, Barden C, Beck H, et al.
J Chem Inf Model
. 2024 Nov;
64(22):8521-8536.
PMID: 39499532
The CACHE challenges are a series of prospective benchmarking exercises to evaluate progress in the field of computational hit-finding. Here we report the results of the inaugural CACHE challenge in...
7.
Ackloo S, Li F, Szewczyk M, Seitova A, Loppnau P, Zeng H, et al.
J Med Chem
. 2024 Nov;
68(2):1092-1112.
PMID: 39495097
Target class-focused drug discovery has a strong track record in pharmaceutical research, yet public domain data indicate that many members of protein families remain unliganded. Here we present a systematic...
8.
Kwak H, Liu L, Tredup C, Rohm S, Prinos P, Bottcher J, et al.
Drug Discov Today
. 2024 Aug;
29(10):104144.
PMID: 39179147
Chemical probes and chemogenomic compounds are valuable tools to link gene to phenotype, explore human biology, and uncover novel targets for precision medicine. The mission of the Target 2035 initiative...
9.
Rovers E, Schapira M
J Chem Inf Model
. 2024 Aug;
64(15):6162-6173.
PMID: 39087481
Proteolysis targeting chimeras (PROTACs) are bifunctional compounds that recruit an E3 ligase to a target protein to induce ubiquitination and degradation of the target. Rational optimization of PROTAC requires a...
10.
Edfeldt K, Edwards A, Engkvist O, Gunther J, Hartley M, Hulcoop D, et al.
Nat Commun
. 2024 Jul;
15(1):5640.
PMID: 38965235
The Structural Genomics Consortium is an international open science research organization with a focus on accelerating early-stage drug discovery, namely hit discovery and optimization. We, as many others, believe that...