HotPOINT Hot Spot Prediction Server for Protein Interfaces

Date

2010-08-15

Author

Tunçbağ, Nurcan
Gürsoy, Attila

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https://hdl.handle.net/11511/87946

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HotPoint A web server for prediction of hot spots in protein interfaces Tunçbağ, Nurcan; Gürsoy, Attila (2010-04-22)
HotPoint: hot spot prediction server for protein interfaces Tunçbağ, Nurcan; GÜRSOY, Attila (2010-07-01) The energy distribution along the protein-protein interface is not homogenous; certain residues contribute more to the binding free energy, called 'hot spots'. Here, we present a web server, HotPoint, which predicts hot spots in protein interfaces using an empirical model. The empirical model incorporates a few simple rules consisting of occlusion from solvent and total knowledge-based pair potentials of residues. The prediction model is computationally efficient and achieves high accuracy of 70%. The input...
Big Data Analytics for Cyber Security Angın, Pelin; Ranchal, Rohit (Hindawi Limited, 2019-09-08)
Large scale prediction of protein domain functions using shared annotations Ulusoy, Erva; Doğan, Tunca (Orta Doğu Teknik Üniversitesi Enformatik Enstitüsü; 2022-10) Discovering the unknown functions of proteins is a major step toward understanding how biological processes work. The expensive and time-consuming nature of wet-lab experimental approaches prompted researchers to develop computational strategies for biomolecular function identification. The main idea behind these approaches, let it be network analysis- or machine learning-based, is that annotations can be transferred among proteins sharing similar characteristics (e.g., sequence, structure, protein-protein ...
Workload Distribution Framework for the Parallel Solution of Large Structural Models on Heterogeneous PC Clusters Kurç, Özgür (American Society of Civil Engineers (ASCE), 2010-03-01) One of the main problems of substructure-based parallel solution methods is the imbalances in the condensation times of substructures when direct solvers are used. Such imbalances usually decrease the performance of the parallel solution. Thus, in this study, a workload distribution framework for such methods at heterogeneous computing environment is presented. The main idea behind this framework is to iteratively adjust the shapes of substructures so that the imbalance in their condensation times is minimi...

Citation Formats

N. Tunçbağ and A. Gürsoy, “HotPOINT Hot Spot Prediction Server for Protein Interfaces,” 2010, Accessed: 00, 2021. [Online]. Available: https://hdl.handle.net/11511/87946.