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PypKa: a python module for flexible Poisson-Boltzmann based pKa calculations with proton tautomerism

Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition Pub Date : 2018-12-22 DOI:10.3390/MOL2NET-04-06101
M. Machuqueiro, Pedro B. P. S. Reis, Diogo Vila-Viçosa, W. Rocchia
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PypKa:一个python模块，用于灵活的泊松-玻尔兹曼基于质子互变异构的pKa计算
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition
Proceedings of MOL2NET 2018, International Conference on Multidisciplinary Sciences, 4th edition
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