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Protein modeling, ligand-protein docking, and visualization
Published 2010“…This motivates us to develop a ligand-protein docking algorithm with emphasis on high performance.…”
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Protein-protein docking based on geometric complementarity
Published 2015“…In our work, the “divide and conquer” scheme has been utilized for protein-protein docking, with an initial stage which focuses on generating a reasonable list of near-native candidate docking conformations, and a refinement step which aims to rank the hit within the first several positions by incorporating the protein flexibility into the docking procedure. …”
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Protein-protein docking with dynamic residue protonation states.
Published 2014-12-01Get full text
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A Non-Redundant Benchmark for Symmetric Protein Docking
Published 2019-06-01“…In the present work, we develop a comprehensive and non-redundant benchmark for symmetric protein docking based on the structures in the Protein Data Bank (PDB). …”
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Exploring angular distance in protein-protein docking algorithms.
Published 2013-01-01“…We present a two-stage hybrid-resolution approach for rigid-body protein-protein docking. The first stage is carried out at low-resolution (15°) angular sampling. …”
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Sampling the conformation of protein surface residues for flexible protein docking
Published 2010-11-01Get full text
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Harnessing protein folding neural networks for peptide–protein docking
Published 2022-01-01Get full text
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PROTEIN-PROTEIN DOCKING REFINEMENT USING RESTRAINT MOLECULAR DYNAMICS SIMULATIONS
Published 2016-10-01Get full text
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Fast and versatile sequence-independent protein docking for nanomaterials design using RPXDock.
Published 2023-05-01“…Here we describe RPXDock, a fast, flexible, and modular software package for sequence-independent rigid-body protein docking across a wide range of symmetric architectures that is easily customizable for further development. …”
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MEGADOCK-on-Colab: an easy-to-use protein–protein docking tool on Google Colaboratory
Published 2023-09-01Subjects: “…Protein–protein docking…”
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AnkPlex: algorithmic structure for refinement of near-native ankyrin-protein docking
Published 2017“…In addition, feature analysis demonstrated that the van der Waals feature was the dominant near-native pose out of the potential ankyrin-protein docking poses. Conclusion: The AnkPlex model achieved a success at predicting near-native docking poses and led to the discovery of informative characteristics that could further improve our understanding of the ankyrin-protein complex. …”
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Accelerating the Screening of Small Peptide Ligands by Combining Peptide-Protein Docking and Machine Learning
Published 2023-07-01“…LightGBM was used to classify peptide-protein docking performance of the entire tetrapeptide library of 160,000 peptide ligands against four viral envelope proteins. …”
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A Point Cloud-Based Deep Learning Model for Protein Docking Decoys Evaluation
Published 2023-04-01Subjects: “…protein docking…”
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How ‘Protein-Docking’ Translates into the New Emerging Field of Docking Small Molecules to Nucleic Acids?
Published 2020-06-01Get full text
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Exploring rigid-backbone protein docking in biologics discovery: a test using the DARPin scaffold
Published 2023-08-01Subjects: Get full text
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Introducing a Clustering Step in a Consensus Approach for the Scoring of Protein-Protein Docking Models.
Published 2016-01-01“…Correctly scoring protein-protein docking models to single out native-like ones is an open challenge. …”
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An Investigation of Three-Finger Toxin—nAChR Interactions through Rosetta Protein Docking
Published 2020-09-01Subjects: Get full text
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Protein–Protein Docking with Large-Scale Backbone Flexibility Using Coarse-Grained Monte-Carlo Simulations
Published 2021-07-01“…Most of the protein–protein docking methods treat proteins as almost rigid objects. …”
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