Approaches to efficiently estimate solvation and explicit water energetics in ligand binding: the use of WaterMap

By Yue Yang, Felice C. Lightstone, Sergio Ernesto Wong. 2013

50 citations recorded by the source corpus.

Subfields: Cell Biology, Computational Theory and Mathematics, Molecular Biology

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Sun Choi
2. Vijayakumar Gosu
3. Sunhye Hong
4. S. J. Macalino
5. Insung S. Choi
6. Hyeoncheol Cho

In Molecular Biology

1. Sun Choi
2. Vijayakumar Gosu
3. Sunhye Hong
4. S. J. Macalino
5. Insung S. Choi
6. Hyeoncheol Cho

Citations in the corpus

• Role of computer-aided drug design in modern drug discovery (2015, methodology): “Recently developed methods that take into account solvation contributions include WaterMap (Abel et al. 2008; Yang et al. 2013) and AcquaAlta (Rossato et al. 2011).”