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(Upper) 3D‐distribution function of water O‐atom and H‐atom around oseltamivir via 3D‐RISM calculation with g(r) > 3.0 before and after the complexation. (Lower) 3D‐RISM RDF of hydrogen‐bonded pairs between oseltamivir heteroatoms and water molecules before and after the complexation calculated from the free oseltamivir and oseltamivir in complex with wild‐type neuraminidase.
