Concepedia

Design, synthesis and molecular modelling of new bulky Fananserin derivatives with altered pharmacological profile as potential antidepressants

Przemysław Zaręba, Jolanta Jaśkowska, Izabela Czekaj, Grzegorz Satała

Bioorganic & Medicinal Chemistry · 2019 · 16 citations · 40 references

DOIFull text

Open access

Concepts

References

40

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

Relationship between the inhibition constant (KI) and the concentration of inhibitor which causes 50 per cent inhibition (I50) of an enzymatic reaction

Yung-Chi Cheng, William H. Prusoff · Biochemical Pharmacology · 1973 · 12.9K citations

, , +14

<i>Mercury CSD 2.0</i>– new features for the visualization and investigation of crystal structures

Clare F. Macrae, Ian Bruno, James A. Chisholm et al. · Journal of Applied Crystallography · 2008 · 8.8K citations

, , +14

Extra Precision Glide:  Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes

Richard A. Friesner, Robert B. Murphy, Matthew P. Repasky et al. · Journal of Medicinal Chemistry · 2006 · 6.9K citations

, , +16