Sub-pocket-wise water thermodynamics for holo simulations: dTStrans, dTSorient, Hsolv per water.
收藏Figshare2015-12-03 更新2026-04-29 收录
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https://figshare.com/articles/dataset/_Sub_pocket_wise_water_thermodynamics_for_holo_simulations_dTS_trans_dTS_orient_H_solv_per_water_/1584357
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The rigidity of sub-pocket S1 is reflected in a higher ordering of water molecules. Enthalpic interactions between solvent and solute are very similar within pockets S1, S4, S5, and S6.
创建时间：
2015-12-03
