Duocarmycins binding to DNA explored by molecular simulation

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Cyclic peptides are fascinating molecules abundantly found in nature and exploited as molecular format for drug development as well as other applications, ranging from research tools to food additives. Advances in peptide technologies made over many years ...

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Duocarmycins binding to DNA explored by molecular simulation

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Cyclic Peptides for Drug Development

From Sequence to Dynamics to Function: Computational Design of Allostery and Ligand Selectivity in G-Protein Coupled Receptors

Oxidative Defect Detection Within Free and Packed DNA Systems: A Quantum Mechanical/Molecular Mechanics (QM/ MM) Approach

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Computational drug development for membrane protein targets

Ru(II)-Arene Complexes of Curcumin and Bisdesmethoxycurcumin Metabolites

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Exciton migration in two-dimensional materials

The predictive capacity of in vitro preclinical models to evaluate drugs for the treatment of retinoblastoma

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Optimised three-dimensional in vitro retinoblastoma models tailored for drug discovery and clinical translatability