Predicting melting points of drug-like molecules using free energy perturbation

被引:0
|
作者
Denny, Rajiah [1 ]
Jayaraman, Saivenkataraman [2 ]
Unwalla, Rayomand [1 ]
Bunnage, Mark [1 ]
机构
[1] Pfizer Inc, Pfizer Global R&D, Cambridge, MA USA
[2] MIT, Mat Sci & Engn, Cambridge, MA 02139 USA
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O6 [化学];
学科分类号
0703 ;
摘要
164
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页数:1
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