Leiden University Scholarly Publications

Computational characterization of membrane proteins as anticancer targets

Artificial intelligence for natural product drug discovery

3DDPDs: describing protein dynamics for proteochemometric bioactivity prediction. A case for (mutant) G protein-coupled receptors

Development of an affinity-based probe to profile endogenous human adenosine A3 receptor expression

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Papyrus

Pan-cancer functional analysis of somatic mutations in G protein-coupled receptors

Cancer-associated mutations of the adenosine A2A receptor have diverse influences on ligand binding and receptor functions

Cancer-related somatic mutations in transmembrane helices alter adenosine A1 receptor pharmacology

Cancer-related somatic mutations alter adenosine A1 receptor pharmacology

Development of subtype-selective covalent ligands for the adenosine A2B receptor by tuning the reactive group

Deciphering conformational selectivity in the A2A adenosine G protein-coupled receptor by free energy simulations

Potent inhibition of nicotinamide N-methyltransferase by alkene linked bisubstrate mimics bearing electron deficient aromatics

Potent inhibition of nicotinamide N-Methyltransferase by alkene-linked bisubstrate mimics bearing electron deficient aromatics

Identification of V6.51L as a selectivity hotspot in stereoselective A2B adenosine receptor antagonist recognition

Novel Cephalosporin conjugates display potent and selective inhibition of Imipenemase-type Metallo-β-Lactamases

Novel cephalosporin conjugates display potent and selective inhibition of imipenemase-type metallo-β-lactamases

Structural Mapping of Adenosine Receptor Mutations: Ligand Binding and Signaling Mechanisms

Interacting with GPCRs: Using Interaction Fingerprints for Virtual Screening