The rise of fragment-based drug discovery.

By Christopher W. Murray, D. Rees. Nature Chemistry, 2009

709 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Molecular Biology

View Paper: https://www.semanticscholar.org/paper/43addf1536e3b8789d760d014f4bfc18e454c130

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. Joan Bruna
2. Amedeo Caflisch
3. P. Śledź
4. Zhengdao Chen

In Molecular Biology

1. Joan Bruna
2. Lei Chen
3. Soledad Villar
4. Amedeo Caflisch
5. Zhengdao Chen

Citations in the corpus

• Protein structure-based drug design: from docking to molecular dynamics. (2018, background): “This way, the essential feature of fragment-based drug discovery — making the high quality interactions with the protein [26] — is considered as a prerequisite and allows to reduce the complexity of search in the conformational space, and to enrich the docked poses in positives.”
• Can graph neural networks count substructures? (2020, background): “Meanwhile, graph substructures (also referred to by various names including graphlets, motifs, subgraphs and graph fragments) are well-studied and relevant for graph-related tasks in computational chemistry [11, 13, 25, 26, 27, 46], computational biology [32] and social network studies [24].”