Concepedia

Graph theory-based simulation tools for protein structure networks

Konstantinos Kantelis, Vassilios Asteriou, Aliki Papadimitriou‐Tsantarliotou, Anthi Petrou, Lefteris Angelis, Petros Nicopolitidis, G.I. Papadimitriou, Ioannis S. Vizirianakis

Simulation Modelling Practice and Theory · 2022 · 16 citations · 63 references

DOI

Concepts

References

63

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Oleg Trott, Arthur J. Olson · Journal of Computational Chemistry · 2009 · 37.1K citations · Full text

, , +17

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

, , +13

Glide:  A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy

Richard A. Friesner, Jay L. Banks, Robert B. Murphy et al. · Journal of Medicinal Chemistry · 2004 · 9.9K citations

, , +17

Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

Gareth Jones, Peter Willett, Robert C. Glen et al. · Journal of Molecular Biology · 1997 · 6.7K citations

, , +14

Innovation in the pharmaceutical industry: New estimates of R&D costs

Joseph A. DiMasi, Henry G. Grabowski, Ronald W. Hansen · Journal of Health Economics · 2016 · 3.2K citations

, , +15