Multidisciplinary Preclinical Investigations on Three Oxamniquine Analogues as New Drug Candidates for Schistosomiasis

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Multidisciplinary Preclinical Investigations on Three Oxamniquine Analogues as New Drug Candidates for Schistosomiasis

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Augmenting large language models with chemistry tools

Augmented Memory: Sample-Efficient Generative Molecular Design with Reinforcement Learning

Computational drug development for membrane protein targets

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

Engineering novel protein interactions with therapeutic potential using deep learning-guided surface design

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

Advancing first principle-based molecular dynamics of biological systems with machine learning

Hierarchy of the Components in Spray-Dried, Protein-Excipient Particles Using DNP-Enhanced NMR Spectroscopy

PROBING INTRACELLULAR ELASTICITY WITH MINIMAL-HESSIAN REGISTRATION

Repurposed drug combination via high-throughput screening and dual drug delivery system development for the treatment of retinoblastoma

Computational Studies of the Proton-Coupled Metal Ion Transport in the SLC11/NRAMP Family of Transporters

Novel High-Throughput Fluorescence-Based Assay for the Identification of Nematocidal Compounds That Target the Blood-Feeding Pathway

MaxwellNet: Physics-driven deep neural network training based on Maxwell's equations

Computational tools and resources for designing new pathways to small molecules

Rational design of protein switches: applications in synthetic biology and cancer immunotherapy

Design, prototyping, and thermo-mechanical modelling of a neutron spallation target impacted by high-energy proton-beam pulses in the n_TOF facility at CERN

Can Precision Electrophile Signaling Make a Meaningful and Lasting Impression in Drug Design?

NICEdrug.ch, a workflow for rational drug design and systems-level analysis of drug metabolism

Drug-to-Antibody Ratio Estimation via Proteoform Peak Integration in the Analysis of Antibody-Oligonucleotide Conjugates with Orbitrap Fourier Transform Mass Spectrometry