Comprehensive assessment of flexible‐ligand docking algorithms: current effectiveness and challenges
By Shengyou Huang. 2018
57 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, Materials Chemistry, 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
- Tommi S. Jaakkola
- Regina Barzilay
- Octavian-Eugen Ganea
- Hannes Stärk
- Lagnajit Pattanaik
- Wengong Jin
- José Miguel Hernández-Lobato
- Shitong Luo
In Materials Chemistry
- Tommi S. Jaakkola
- Regina Barzilay
- Octavian-Eugen Ganea
- Lagnajit Pattanaik
- Hannes Stärk
- Wengong Jin
- José Miguel Hernández-Lobato
- William L. Hamilton
In Molecular Biology
- Tommi S. Jaakkola
- Regina Barzilay
- Hannes Stärk
- Lagnajit Pattanaik
- Octavian-Eugen Ganea
- Gabriele Corso
- Bowen Jing
- Shuya Nakata
Citations in the corpus
- EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction (2022, background): “It has previously been assumed that the most flexible parts of drug-like molecules are rotatable bonds, while local atomic structures (LAS) (bond lengths and adjacent bond angles) or small rings are mostly rigid (Trott & Olson, 2010; Zsoldos et al., 2007; Huang, 2018; M´endez-Lucio et al., 2021).”