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PCRPi - DB: a database of computationally annotated hot spots in protein interfaces
2010
Nucleic Acids Research
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Presaging Critical Residues in Protein Interfaces Database (PCRPi-DB) is a public repository that archives computationally annotated hot spots in protein complexes for which the 3D structure is known. ...
There is a clear interest in identifying hot spots because of its application in drug discovery and protein design. ...
CONCLUSION A database of computationally annotated hot spots in protein interfaces, PCRPi-DB, is presented. ...
doi:10.1093/nar/gkq1068
pmid:21097468
pmcid:PMC3013674
fatcat:a6gyg2ucw5fsbn4jpxyhkmw364
Hot-spot analysis for drug discovery targeting protein-protein interactions
2018
Expert Opinion on Drug Discovery
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Areas covered In this review, the authors cover a variety of computational methods that have been reported for the energetic analysis of protein-protein interfaces in search of hot-spots, and the structural ...
Computational analysis and docking can help to locate the interface, molecular dynamics can be used to find suitable cavities, and hot-spot predictions can focus the search for inhibitors of protein-protein ...
In this context, it is interesting to mention the PCRPi database (PCRPi-DB), which contains computationally annotated hot-spot residues in all protein-protein complexes for which a high-resolution 3D structure ...
doi:10.1080/17460441.2018.1430763
pmid:29376444
fatcat:ysr5fpq5wzexlkjgxfgzadve4q
Computational Prediction of Protein Hot Spot Residues
2012
Current pharmaceutical design
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Design of therapeutic agents that interact with hot spot residues has proven to be a valid methodology in disrupting unwanted protein-protein interactions. ...
Here we review the state of knowledge around protein-protein interactions, hot spots, and give an overview of multiple in silico prediction techniques of hot spot residues. ...
Acknowledgments This work was supported in part by the US Department of Defense Concept Awards (BC085871), Grant # IRG-08-061-01 from the American Cancer Society and MDACC-UT Austin CTT-TI3D grants. ...
doi:10.2174/138161212799436412
pmid:22316154
pmcid:PMC3807665
fatcat:glhmapaayrdd3ojdnquzfuzbja
Computational Tools and Databases for the Study and Characterization of Protein Interactions
[chapter]
2012
Protein-Protein Interactions - Computational and Experimental Tools
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Moreover, PCPRi is a central part of a database that compiles and annotates hot spot in protein interfaces: PCRPI-DB . ...
Prediction and charting of hot spots in protein interfaces The final part of the chapter describes the current state in computational prediction of hot spots in protein interfaces. ...
doi:10.5772/37268
fatcat:sd5xvcmfara7thw7goulplbwlq
Structural Prediction of Protein–Protein Interactions by Docking: Application to Biomedical Problems
[chapter]
2018
Advances in Protein Chemistry and Structural Biology
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In addition, prediction of interface and hot-spot residues is very useful in order to guide and interpret mutagenesis experiments, as well as to understand functional and mechanistic aspects of the interaction ...
PROTEIN-PROTEIN DOCKING IN BIOMEDICINE 3 Keywords: Protein-protein interactions, complex structure, computational docking, interface prediction, hot-spot residues, drug discovery, edgetic effect, pathological ...
Interface and hot-spot prediction The use of new approaches continues to enable the study of protein interactions from different perspectives. ...
doi:10.1016/bs.apcsb.2017.06.003
pmid:29412997
fatcat:6dsojxsybrfrthdz3yhlqmplxu