Concepedia

Small-molecule ligand docking into comparative models with Rosetta

Steven A. Combs, Samuel DeLuca, Stephanie H. DeLuca, Gordon Lemmon, D.P. Nannemann, Elizabeth D. Nguyen, Jordan R. Willis, Jonathan H. Sheehan, Jens Meiler

Nature Protocols · 2013 · 191 citations · 81 references

DOI

Concepts

References

81

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

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UCSF Chimera—A visualization system for exploratory research and analysis

Eric F. Pettersen, Thomas D. Goddard, Conrad C. Huang et al. · Journal of Computational Chemistry · 2004 · 47.8K citations

, , +17

Equation of State Calculations by Fast Computing Machines

N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations

, , +9

Clustal W and Clustal X version 2.0

Mark Larkin, Gordon Blackshields, Nigel P. Brown et al. · Bioinformatics · 2007 · 29.1K citations · Full text

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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

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