Ensemble Docking in Drug Discovery.

By R. Amaro, J. Baudry, John D. Chodera, Özlem Demir, James Andrew McCammon, Yinglong Miao, Jeremy C. Smith. Biophysical Journal, 2018

412 citations recorded by the source corpus.

Subfields: Biophysics, Computational Theory and Mathematics, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/7276ad68e5b799ffea91fa32ba100cc0e11fd41f

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. Tatu Pantsar
2. Antti Poso

In Molecular Biology

1. Tatu Pantsar
2. Antti Poso

Citations in the corpus

• Binding Affinity via Docking: Fact and Fiction (2018, background): “As a result, different approaches that consider the protein flexibility have been developed, such as ensemble docking [14], where docking is conducted in an ensemble of different protein conformations.”