Cosolvent molecular dynamics 2 Docking 2 Drug Design 2 Drug Discovery 2 Drug design 2 Fragment screening 2 Ligands 2 Molecular Dynamics Simulation 2 Molecular dynamics 2 Proteins 2 Solvents 2 chemistry 2 drug design 2 drug development 2 ligand 2 metabolism 2 molecular dynamics 2 protein 2 solvent 2