Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software

2020 | journal article

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​Non-equilibrium approach for binding free energies in cyclodextrins in SAMPL7: force fields and software​
Khalak, Y.; Tresadern, G.; de Groot, B. L.   & Gapsys, V. ​ (2020) 
Journal of Computer-Aided Molecular Design35(1) pp. 49​-61​.​ DOI: https://doi.org/10.1007/s10822-020-00359-1 

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Authors
Khalak, Yuriy; Tresadern, Gary; de Groot, Bert L. ; Gapsys, Vytautas 
Issue Date
2020
Journal
Journal of Computer-Aided Molecular Design 
ISSN
0920-654X
eISSN
1573-4951
Language
English

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