Quantifying Spatially Resolved Hydration Thermodynamics Using Grid Inhomogeneous Solvation Theory [Article v1.0]
利用网格非均匀溶剂化理论量化空间分辨水合热力学[文章 v1.0]
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doi:10.33011/livecoms.6.1.3059
Egger-Hoerschinger, Valentin J; Waibl, Franz; Molino, Vjay; Carter, Helmut; Fernández-Quintero, Monica L; Ramsey, Steven; Roe, Daniel R; Liedl, Klaus R; Gilson, Michael K; Kurtzman, Tom