By P. Michael Conn
This new quantity of Methods in Enzymology maintains the legacy of this foremost serial with caliber chapters authored by means of leaders within the box. This quantity covers G protein coupled receptors, and comprises chapters on such issues as GPCR modelling, interactions with different molecules, digital screening and GPCR activation.
- Continues the legacy of this best serial with caliber chapters authored via leaders within the box
- Covers G protein coupled receptors
- Contains chapters on such issues as GPCR modelling, interactions with different molecules, digital screening and GPCR activation.
Read Online or Download G Protein Coupled Receptors: Modeling, Activation, Interactions and Virtual Screening PDF
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Additional info for G Protein Coupled Receptors: Modeling, Activation, Interactions and Virtual Screening
0 model: A next generation energy model for high resolution protein structure modeling. Proteins, 79, 2794–2812. Morozov, A. , & Baker, D. (2004). Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations. Proceedings of the National Academy of Sciences of the United States of America, 101, 6946–6951. , Bondar, A. , & Buss, V. (2004). 2 A crystal structure. Journal of Molecular Biology, 342, 571–583. Pierce, K. , Premont, R.
2008). 6 angstrom crystal structure of a human A2A adenosine receptor bound to an antagonist. Science, 322, 1211–1217. Jacobson, M. , Pincus, D. , Rapp, C. , Day, T. , Shaw, D. , et al. (2004). A hierarchical approach to all atom protein loop prediction. Proteins, 55, 351–367. Kolakowski, L. , Jr. (1994). GCRDb: A G-protein-coupled receptor database. Receptors & Channels, 2, 1–7. Kristiansen, K. (2004). Molecular mechanisms of ligand binding, signaling, and regulation within the superfamily of G-protein-coupled receptors: Molecular modeling and mutagenesis approaches to receptor structure and function.
2. PLOP PERFORMANCE FOR LOOP PREDICTION A single execution of PLOP excises a loop from a protein, builds half-loop fragments by sampling residues’ backbone dihedral angles from the left and right loop stems, and fuses half-loops whose central atoms meet into full-loop candidates. These are screened for steric clash, clustered to pick representative loops, and evaluated by energy—the lowest of which corresponds to the final predicted loop. Running many PLOP executions in a hierarchical scheme samples loop space more exhaustively.
G Protein Coupled Receptors: Modeling, Activation, Interactions and Virtual Screening by P. Michael Conn