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• Evaluating Nirmatrelvir Resistance in SARS-CoV-2 Main Protease: A Comparison Between MM/PBSA and Free Energy Perturbation

  Xiaoxiao Lyu, Ye Mei

  2025-09-03

  2889 515 Pages:171-180

• Free Energy Profiles of Binding Processes of HIV-1 Protease-2AH/4AH by Potential of Mean Force Simulations

  Yuxin Zhang

  2017-05-01

  26938 3048 Pages:19-26