Water, water, everywhere… It's time to stop and think.

@article{Bodnarchuk2016WaterWE,
  title={Water, water, everywhere… It's time to stop and think.},
  author={Michael S. Bodnarchuk},
  journal={Drug discovery today},
  year={2016},
  volume={21 7},
  pages={1139-46}
}
Despite the numerous methods available for predicting the location and affinity of water molecules, there is still a degree of scepticism and reluctance towards using such information within a drug discovery program. Here, I review some of the most common and popular methods to assess whether these apparent concerns are justified. I suggest that the field is approaching maturity and that some methods are capable of giving quantitative predictions, which are confirmed experimentally. This… CONTINUE READING
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