How accurate can molecular dynamics/linear response and Poisson–Boltzmann/solvent accessible surface calculations be for predicting relative binding affinities? Acetylcholinesterase huprine inhibitors as a test case
- 作者X. Barril; J. L. Gelpí; J. M. López; M. Orozco; F. J. Luque
- 卷第106卷
- 印刷ISSN1432-881X
- 电子ISSN1432-2234
- 文件大小131.59KB
- 发表时间2001-06
- DOI10.1007/s002140000216
- 页码2-9
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