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"Computation of relative binding free energy for an inhibitor and its ..."

Kuan-Wei Wu et al. (2012)

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DOI: 10.1007/S10822-012-9606-6

access: closed

type: Journal Article

metadata version: 2020-04-16

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  - journals/jcamd/WuCWS12
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  - https://dblp.org/rec/journals/jcamd/WuCWS12
Kuan-Wei Wu, Po-Chin Chen, Jun Wang, Ying-Chieh Sun:
Computation of relative binding free energy for an inhibitor and its analogs binding with Erk kinase using thermodynamic integration MD simulation. J. Comput. Aided Mol. Des. 26(10): 1159-1169 (2012)

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