Concepedia

Photochemical Identification of Molecular Binding Sites on the Surface of Amyloid-β Fibrillar Aggregates

Amir Aliyan, Thomas J. Paul, Bo Jiang, Christopher L. Pennington, Gaurav Sharma, Rajeev Prabhakar, Angel A. Martı́

Chem · 2017 · 35 citations · 52 references

DOIFull text

Open access

Concepts

References

52

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

Free radicals in biology and medicine

General Pharmacology The Vascular System · 1991 · 17.2K citations

, , +12

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

Alexander D. MacKerell, Donald Bashford, M. Bellott et al. · The Journal of Physical Chemistry B · 1998 · 14.5K citations

, , +17

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

Wendy D. Cornell, Piotr Cieplak, Christopher I. Bayly et al. · Journal of the American Chemical Society · 1995 · 13.1K citations

, , +17

GROMACS: A message-passing parallel molecular dynamics implementation

Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen · Computer Physics Communications · 1995 · 10.5K citations

, , +10