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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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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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PROTEIN-PROTEIN DOCKING REFINEMENT USING RESTRAINT MOLECULAR DYNAMICS SIMULATIONS
Published 2016-10-01Get full text
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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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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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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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Analysis of protein-protein docking decoys using interaction fingerprints: application to the reconstruction of CaM-ligand complexes
Published 2010-05-01“…Here, we have proposed a combined method for analyzing protein-protein docking by taking large conformational changes into consideration. …”
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NPPD: A Protein-Protein Docking Scoring Function Based on Dyadic Differences in Networks of Hydrophobic and Hydrophilic Amino Acid Residues
Published 2015-03-01Subjects: “…protein-protein docking…”
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MetaScore: A Novel Machine-Learning-Based Approach to Improve Traditional Scoring Functions for Scoring Protein–Protein Docking Conformations
Published 2023-01-01Subjects: “…protein–protein docking…”
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Protein-protein docking studies on the sweet protein (neoculin) and the human sweet taste receptors T1R2 and T1R3
Published 2015“…Therefore, in this work, a protein-protein docking study was performed between neoculin and the human sweet taste receptor T1R2 and T1R3. …”
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Mapping the energy landscape of PROTAC-mediated protein-protein interactions
Published 2023-01-01Subjects: Get full text
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Identification of natural peptides from “PlantPepDB” database as anti-SARS-CoV-2 agents: A protein-protein docking approach
Published 2023-05-01Subjects: Get full text
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Deconvolution of the MBP-Bri2 Interaction by a Yeast Two Hybrid System and Synergy of the AlphaFold2 and High Ambiguity Driven Protein-Protein Docking
Published 2022-01-01“…Since the spatial structures for both MBP and Bri2 were not known, we used computational methods of structural biology including an artificial intelligence system AlphaFold2 and high ambiguity driven protein-protein docking (HADDOCK 2.1) to gain a mechanistic explanation of the found protein-protein interaction and elucidate a possible structure of the complex of MBP with Bri23R peptide. …”
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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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Molecular Interaction-Based Exploration of the Broad Spectrum Efficacy of a Bacillus thuringiensis Insecticidal Chimeric Protein, Cry1AcF
Published 2019-03-01Subjects: Get full text
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A Combined Spectroscopic and In Silico Approach to Evaluate the Interaction of Human Frataxin with Mitochondrial Superoxide Dismutase
Published 2021-11-01Subjects: Get full text
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Identification of Sortilin Alternatively Spliced Variants in Mouse 3T3L1 Adipocytes
Published 2021-01-01Subjects: Get full text
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Novel pathogenic variant in MED12 causing non-syndromic dilated cardiomyopathy
Published 2023-12-01Subjects: Get full text
Article