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human evidence is limited, the combination is unstudied, and individual results vary
2008), to balance the solvent around the proteinligand complex at the desired temperature and pressure, two phases of equilibration were carried out using two-step simulations (NVT and NPT) ensemble by LEAPFROG algorithm for 100 ps using a V-rescale modified Berendsen thermostat for both support parameter files, the protein was fixed in place while the solvent is allowed to move freely across it
L.RigatoM.FrisonV.DAmbrosioM.SartoreG.AvogaroA.et al (2025)
Smoking, p53 mutation, and lung cancer
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