日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

Predicting water at the protein interface in cryo-EM structures from MD-excess chemical potential

利用分子动力学模拟过量化学势预测冷冻电镜结构中蛋白质界面处的水分子

Sun, Qinfang; Aiyer, Sriram; Biswas, Avik; Haldane, Allan; Chatterjee, Sompriya; Matubayasi, Nobuyuki; Lyumkis, Dmitry; Levy, Ronald M

Data-driven enhanced sampling of mechanistic pathways

数据驱动的机制通路增强采样

Elangovan, Revanth; Chatterjee, Sompriya; Ray, Dhiman

De Novo Hydration of Cryo-EM Reconstructions through Molecular Dynamics Simulations of the Excess Chemical Potential

通过过剩化学势的分子动力学模拟实现冷冻电镜重建的从头水合

Sun, Qinfang; Aiyer, Sriram; Biswas, Avik; Haldane, Allan; Chatterjee, Sompriya; Matubayasi, Nobuyuki; Lyumkis, Dmitry; Levy, Ronald M