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Conformational entropy calculation, usually computed by normal mode analysis (NMA), is a time-consuming step in MM-PB/GBSA calculations. Here, instead of NMA, a solvent accessible surface area (SAS) based model was employed to compute the conformational entropy. A new fast GPU-based method called MURCIA (Molecular Unburied Rapid Calculation of Individual Areas) was used instead of the traditional Shrake-Rupley algorithm to accelerate the calculation of SASA for each atom. MURCIA employs twodblp:conf/iwbbio/ZhangGWHS13 fatcat:5rf4jq5scnefbcobuq3buxo75m