Decomposing compounds enables reconstruction of interaction fingerprints for structure-based drug screening.

Adasme MF, Bolz SN, Al-Fatlawi A, Schroeder M.

J Cheminform, 2022

doi:10.1186/s13321-022-00592-w.

PLIP 2021: expanding the scope of the protein-ligand interaction profiler to DNA and RNA.

Adasme MF, Linnemann KL, Bolz SN, Kaiser F, Salentin S, Haupt VJ, Schroeder M.

Nucleic Acids Res, 2021

doi:10.1093/nar/gkab294.

Toward an Understanding of Pan-Assay Interference Compounds and Promiscuity: A Structural Perspective on Binding Modes.

Bolz SN, Adasme MF, Schroeder M.

J Chem Inf Model, 2021

doi:10.1021/acs.jcim.0c01227.

Structure-based drug repositioning: Potential and limits.

Adasme MF, Parisi D, Sveshnikova A, Schroeder M.

Semin Cancer Biol, 2021

doi:10.1016/j.semcancer.2020.01.010.

Repositioned Drugs for Chagas Disease Unveiled via Structure-Based Drug Repositioning.

Adasme MF, Bolz SN, Adelmann L, Salentin S, Haupt VJ, Moreno-Rodríguez A, Nogueda-Torres B, Castillo-Campos V, Yepez-Mulia L, De Fuentes-Vicente JA, Rivera G, Schroeder M.

Int J Mol Sci, 2020

doi:10.3390/ijms21228809.

Structure-based drug repositioning explains ibrutinib as VEGFR2 inhibitor.

Adasme MF, Parisi D, Van Belle K, Salentin S, Haupt VJ, Jennings GS, Heinrich JC, Herman J, Sprangers B, Louat T, Moreau Y, Schroeder M.

PLoS One, 2020

doi:10.1371/journal.pone.0233089.

Drug repositioning or target repositioning: A structural perspective of drug-target-indication relationship for available repurposed drugs.

Parisi D, Adasme MF, Sveshnikova A, Bolz SN, Moreau Y, Schroeder M.

Comput Struct Biotechnol J, 2020

doi:10.1016/j.csbj.2020.04.004.

Drug repositoning or target repositioning: a structural perspective of drug-target-indication relationship for available repurposed drugs

Parisi D, Adasme MF, Sveshnikova A, Moreau Y, Schroeder M.

2019

doi:10.1101/715094.

Controlling distinct signaling states in cultured cancer cells provides a new platform for drug discovery.

Poser SW, Otto O, Arps-Forker C, Ge Y, Herbig M, Andree C, Gruetzmann K, Adasme MF, Stodolak S, Nikolakopoulou P, Park DM, Mcintyre A, Lesche M, Dahl A, Lennig P, Bornstein SR, Schroeck E, Klink B, Leker RR, Bickle M, Chrousos GP, Schroeder M, Cannistraci CV, Guck J, Androutsellis-Theotokis A.

FASEB J, 2019

doi:10.1096/fj.201802603rr.

From malaria to cancer: Computational drug repositioning of amodiaquine using PLIP interaction patterns.

Salentin S, Adasme MF, Heinrich JC, Haupt VJ, Daminelli S, Zhang Y, Schroeder M.

Sci Rep, 2017

doi:10.1038/s41598-017-11924-4.

PLIP: fully automated protein-ligand interaction profiler.

Salentin S, Schreiber S, Haupt VJ, Adasme MF, Schroeder M.

Nucleic Acids Res, 2015

doi:10.1093/nar/gkv315.