Water molecules at protein–drug interfaces: computational prediction and analysis methods
نویسندگان
چکیده
In this review we examine computational approaches to explore the structure and thermodynamics of water binding in protein–drug complexes
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ژورنال
عنوان ژورنال: Chemical Society Reviews
سال: 2021
ISSN: ['0306-0012', '1460-4744']
DOI: https://doi.org/10.1039/d0cs00151a