Enhanced sampling of hydration states and binding modes in protein-ligand structures with nonequilibrium candidate Monte Carlo simulations

Enhanced sampling of hydration states and binding modes in protein-ligand structures with nonequilibrium candidate Monte Carlo simulations
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通过非平衡候选蒙特卡罗模拟增强蛋白质-配体结构中水合状态和结合模式的采样

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发表时间:
2019
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通讯作者:
M.Samways
M.Samways
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作者:
M.Samways

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