pK a Calculations in Membrane Proteins from Molecular Dynamics Simulations
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Springer US
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https://link.springer.com/content/pdf/10.1007/978-1-0716-1468-6_11
Reference31 articles.
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2. Teixeira VH, Vila-Viçosa D, Pedro BP et al (2016) pKa values of titrable amino acids at the water/membrane interface. J Chem Theory Comput 12:930–934. https://doi.org/10.1021/acs.jctc.5b01114
3. Vila-Viçosa D, Silva TFD, Slaybaugh G et al (2018) Membrane-induced pKa shifts in wt-pHLIP and its L16H variant. J Chem Theory Comput 14:3289–3297. https://doi.org/10.1021/acs.jctc.8b00102
4. Goossens K, De Winter H (2018) Molecular dynamics simulations of membrane proteins: an overview. J Chem Inf Model 58:2193–2202. https://doi.org/10.1021/acs.jcim.8b00639
5. Reis, P. B. P. S., Vila-Viçosa, D., Rocchia, W., Machuqueiro, M. (2020) PypKa: a flexible Python module for Poisson–Boltzmann based pKa calculations, J Chem Inf Model, 60:4442-4448. https://pubs.acs.org/doi/10.1021/acs.jcim.0c00718
Cited by 2 articles. 订阅此论文施引文献 订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献
1. PKAD-2: New Entries and Expansion of Functionalities of the Database of Experimentally Measured pKa’s of Proteins;Journal of Computational Biophysics and Chemistry;2023-04-25
2. Galvani Offset Potential and Constant-pH Simulations of Membrane Proteins;The Journal of Physical Chemistry B;2022-09-01
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