Jordi Martı́

This study uses molecular dynamics simulations to uncover how c-Src recognizes and phosphorylates different forms of KRas, identifying key residues and conformations involved in this interaction.

This study identifies drugable pockets on c-MYC using simulations, showing 10074-G5 binds stably, offering a new approach to target this undruggable protein.

This study uses well-tempered metadynamics to explore the conformational space of unbound MAX protein, revealing a stable structure and potential druggable sites for targeting MYC/MAX interactions.

This paper investigates how temozolomide crosses brain plasma membranes using molecular dynamics simulations, finding that it cannot cross by pure diffusion at normal body temperature but requires higher temperatures or assistance from cholesterol and cerebroside lipids.

This study shows c-di-GMP inhibits rRNA methylation by binding to RlmI, modulates ribosome assembly, and promotes antibiotic tolerance in E. coli.

The paper reveals the atomic mechanisms of GDP extraction by SOS1 from KRAS-G12D and KRAS-D12 oncogenes, identifying key residues and interactions involved.

This study uses metadynamics simulations to analyze structural differences between NRAS and its mutations, revealing key dynamic behaviors and potential therapeutic targets.

This paper describes the design of a lipid-based drug, LIG1, that targets KRAS4B-G12D and phosphodiesterase-delta to inhibit cancer cell proliferation.