Claus Ehrhardt
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View article: Targeting the Main Protease (M<sup>pro</sup>, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies
Targeting the Main Protease (M<sup>pro</sup>, nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies Open
The main protease Mpro, nsp5, of SARS-CoV-2 (SCoV2) is one of its most attractive drug targets. Here, we report primary screening data using nuclear magnetic resonance spectroscopy (NMR) of four different libraries and detailed follow-up s…
View article: Decrypting Integrins by Mixed-Solvent Molecular Dynamics Simulations
Decrypting Integrins by Mixed-Solvent Molecular Dynamics Simulations Open
Integrins are a family of α/β heterodimeric cell surface adhesion receptors which are capable of transmitting signals bidirectionally across membranes. They are known for their therapeutic potential in a wide range of diseases. However, th…
View article: CCDC 904173: Experimental Crystal Structure Determination
CCDC 904173: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 904172: Experimental Crystal Structure Determination
CCDC 904172: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 898747: Experimental Crystal Structure Determination
CCDC 898747: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …