Computer-aided drug design platform using PyMOL
By Markus A. Lill, Matthew L. Danielson. 2011
582 citations recorded by the source corpus.
Subfields: Computational Theory and Mathematics, Materials Chemistry, Molecular Biology, Computational Chemistry & Drug Discovery
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Citations in the corpus
- Molecular Docking and Structure-Based Drug Design Strategies (2015, neutral): “Program UCSF Chimera [193,194] VMD [195,196] Pymol [197,198] BALL [199,200] RasMol [201,202] Jmol [203] JSmol [204]”
- Using Multiple Microenvironments to Find Similar Ligand-Binding Sites: Application to Kinase Inhibitor Binding (2011, methodology): “We compare an ATP-binding site (1kvk/ATP), an NAD-binding site (1a5z/NAD) and an FAD-binding site (2b9w/FAD). There are five sets of mutual aligned microenvironments between the three sites. (A) 3D structures of the binding site. The five sets of mutual aligned microenvironments are represented as c”
- Using PyMOL as a platform for computational drug design (2017, methodology): “In contrast, the Amber plugin 36 in PyMOL uses Amber 52 as MD simulation engine in backend.”
- Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances (2014, unknown): “PyMOL [129] Docking, MD, QSAR http://people.”