PDB: 5OCX, Crystal structure of ACPA E4 in complex with CII-C-13-CIT (311K, 38°C, 100 ns): random seed #2https://doi.org/10.7910/DVN/LBPX7TStan, RazvanHarvard Dataverse2023-10-162025-12-17T06:17:51ZCrystal structure of ACPA E4 in complex with CII-C-13-CIT (311K, 38°C, 100 ns): random seed #2. Contains free binding energy calculations.Computer and Information ScienceMedicine, Health and Life Sciencesfeverautoimmune diseasesinflammationAnti-Citrullinated Protein Antibodiesrheumatoid arthritisautoantibodiesSingh PK, Stan RC. ThermoPCD: a database of molecular dynamics trajectories of antibody-antigen complexes at physiologic and fever-range temperatures. Database (Oxford). 2024 Mar 19; 2024:baae015. doi: 10.1093/database/baae0152023-10-16Stan, Razvan2023-10-16CC0 1.0