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发明名称
SITE-SPECIFIC FRAGMENT IDENTIFICATION GUIDED BY SINGLE-STEP FREE ENERGY PERTURBATION CALCULATIONS
摘要
A method and system is disclosed for estimating the difference between binding free energies of molecules.
申请公布号
EP2836947(A4)
申请公布日期
2015.12.23
申请号
EP20130764351
申请日期
2013.03.20
申请人
UNIVERSITY OF MARYLAND, BALTIMORE;MACKERELL JR., ALEXANDER D.;RAMAN E., PRABHU
发明人
MACKERELL, JR., ALEXANDER D.;RAMAN, E. PRABHU
分类号
G06F19/00;G06F19/16
主分类号
G06F19/00
代理机构
代理人
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