Jonathan Barnoud

Interactive molecular dynamics in virtual reality is an effective tool for flexible substrate and inhibitor docking to the SARS-CoV-2 main protease
Resolving Donor–Acceptor Interfaces and Charge Carrier Energy Levels of Organic Semiconductors with Polar Side Chains
Piezo1 forms specific, functionally important interactions with phosphoinositides and cholesterol
Titratable Martini model for constant pH simulations
Dual resolution membrane simulations using virtual sites
Capturing Choline–Aromatics Cation− π Interactions in the MARTINI Force Field