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炼金术自由能计算方法现在广泛在小分子先导优化中用于预测活性,精度约为1kcal/mol。然而少有用FEP预测靶标选择性的报道,FEP可以用于该场景吗? Albanese, S. K.; et al. Is Structure-Based Drug Design Ready for Selectivity Optimization? J. Chem. Inf. Model. 2020, 60 (12), 6211–6227. https://t.cn/A6XAMANi
#计算机辅助药物设计##基于结构的设计#
#计算机辅助药物设计##基于结构的设计#
2021年9月《自然-纳米技术》封面:一张由藻酸盐基质和碳纳米材料添加剂组成的微电极阵列的SEM图像。#《自然》系列期刊封面# https://t.cn/A6MSqRf1
Tringides, C.M., Vachicouras, N., de Lázaro, I. et al. Viscoelastic surface electrode arrays to interface with viscoelastic tissues. Nat. Nanotechnol.16, 1019–1029 (2021). https://t.cn/A6MSqRf3
封面图片:Christina Tringides, Harvard University
封面设计:Bethany Vukomanovic
Tringides, C.M., Vachicouras, N., de Lázaro, I. et al. Viscoelastic surface electrode arrays to interface with viscoelastic tissues. Nat. Nanotechnol.16, 1019–1029 (2021). https://t.cn/A6MSqRf3
封面图片:Christina Tringides, Harvard University
封面设计:Bethany Vukomanovic
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