Concepedia

Computational structural enzymology methodologies for the study and engineering of fatty acid synthases, polyketide synthases and nonribosomal peptide synthetases

Andrew J. Schaub, Gabriel Moreno, Shiji Zhao, Hau V. Truong, Ray Luo, Shiou‐Chuan Tsai

Methods in enzymology on CD-ROM/Methods in enzymology · 2019 · 14 citations · 77 references

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Concepts

References

77

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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Scalable molecular dynamics with NAMD

J. C. Phillips, Rosemary Braun, Wei Wang et al. · Journal of Computational Chemistry · 2005 · 17.4K citations · Full text

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GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

Sander Pronk, Szilárd Páll, Roland Schulz et al. · Bioinformatics · 2013 · 7.6K citations · Full text

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PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data

Daniel R. Roe, Thomas E. Cheatham · Journal of Chemical Theory and Computation · 2013 · 7.6K citations

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I-TASSER: a unified platform for automated protein structure and function prediction

Ambrish Roy, Alper Küçükural, Yang Zhang · Nature Protocols · 2010 · 6.3K citations · Full text

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