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--- highlights:2025:itercr [2025/10/23 08:27] – created Didier Barradas Bautista
+++ highlights:2025:itercr [2025/10/23 10:48] (current) – Didier Barradas Bautista
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-🧬 Improving Protein Docking Accuracy with Iter-CONSRANK
+====== 🧬 Improving Protein Docking Accuracy with Iter-CONSRANK ======
-By Didier Barradas-Bautista, Visualization Scientist at KAUST
+<WRAP center>
+<fs 32> Increasing the Fraction of Correct Solutions in Ensembles of Protein-Protein Docking Models by an Iterative Consensus Algorithm
+</fs>
+</WRAP>
+<WRAP group>
+<WRAP third column>
+<WRAP center>
+{{:wiki:highlights:2025:PPI_IterCR_v1.png?600|}}
+</WRAP>
+<WRAP center round box 100% large> {{:favicon.ico?nolink&0x30}} <fs:26px>** KVL Staff on Project**</fs>
+{{:icon:twbs:link:w-25:h-auto:person.svg?nolink&}} Didier Barradas Bautista \\
+{{:icon:twbs:link:w-25:h-auto:envelope-at.svg?nolink&}}  didier.barradasbautista@kaust.edu.sa \\
+{{:icon:twbs:link:w-25:h-auto:building.svg?nolink&}} Building 1, Level 0, Office 0125 \\
+</WRAP>
+<WRAP center round box 100%> {{:wiki:kaust-seeds.png?nolink&0x30}} <fs:26px>** KAUST PI on Project**</fs>
+{{:icon:twbs:link:w-25:h-auto:person.svg?nolink&}} Luigi Cavallo  \\
+{{:icon:twbs:link:w-25:h-auto:envelope-at.svg?nolink&}}  luigi.cavallo@kaust.edu.sa \\
+</WRAP>
+</WRAP> /* end column */
+<WRAP twothirds column>
+===== Research Breakthrough =====
+<WRAP>
 Protein–protein docking generates thousands of possible interaction models—but only a few are correct. In our latest collaborative work, we introduce Iter-CONSRANK, an iterative scoring algorithm that filters out incorrect models and enriches the ensemble with correct ones.
-📊 Tested on two challenging datasets, Iter-CONSRANK increased the fraction of correct models by up to 8× for medium-difficulty targets and outperformed over 150 scoring functions in ranking accuracy.
+  * 📊 Tested on two challenging datasets, Iter-CONSRANK increased the fraction of correct models by up to 8× for medium-difficulty targets and outperformed over 150 scoring functions in ranking accuracy.
-🎯 The method is available for use in pre-processing docking ensembles or as an independent scoring tool.
+  * 🎯 The method is available for use in pre-processing docking ensembles or as an independent scoring tool.
-🔬 This work was led in collaboration with [KAUST PI Name Placeholder] and our partners at the University of Naples “Parthenope”.
+  * 🔬 This work was led in collaboration with Luigi Cavallo and our partners at the University of Naples “Parthenope”
-🎥 [Video Placeholder: short explainer or animation of the workflow]
+</WRAP>
-📎 Read the full paper: [Link Placeholder]
+<WRAP notice>
+<fs 18>**🔬 Research Visualization**</fs>
+The graphical abstract below illustrates the iterative filtering strategy used to enrich correct protein–protein docking models. The paper entitled "Increasing the Fraction of Correct Solutions in Ensembles of Protein-Protein Docking Models by an Iterative Consensus Algorithm" is available for download and review. [[https://onlinelibrary.wiley.com/doi/pdf/10.1002/pro.70314|here]].
+<WRAP info>
+<WRAP center>
+{{:wiki:highlights:2025:Graphical_abstract.gif|}}
+</WRAP>
+</WRAP> /* end column */
+<fs 18>**🎯 KVL's Contribution**</fs>
+KVL's visualization scientist **Didier Barradas-Bautista** contributed significantly to the development and validation of the Iter-CONSRANK algorithm through:
+  * Design and implementation of contact-based clustering to enhance scoring accuracy
+  * Generation of the 3K-BM5up benchmark dataset using multiple docking tools
+  * Optimization of iteration parameters and performance evaluation across difficulty categories
+  * Comparative benchmarking against 157 scoring functions, demonstrating top performance
+  * Public release of the Iter-CONSRANK software for community use
+  * Active participation in CAPRI scoring rounds, validating the method in blind tests
+</WRAP> /* end group */
+----
+{{tag>highlight kvl}}