Multiple copy simultaneous search and construction of ligands in binding sites: application to inhibitors of HIV-1 aspartic proteinase.

By A. Caflisch, Andrew Miranker, Martin Karplus. 1993

Subfields: Computational Chemistry & Drug Discovery

How researchers see this paper

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

In Computational Chemistry & Drug Discovery

1. C. K. Surratt
2. Jack Adam Tuszynski
3. Jeffry D. Madura
4. K. Syed
5. Michael J. Wasko
6. Kendy A. Pellegrene
7. N. S. Pagadala

Citations in the corpus

• A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets (2015, methodology): “This method was further detailed in a second paper in 1993 that used MCSS to construct ligands targeting the human immuno-deficiency virus 1 proteinase (24).”
• Software for molecular docking: a review (2017, methodology): “building bonds to connect the various minima they found (Caflisch et al. 1993).”