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Academic Journal

Role of diffusion and reaction of the constituents in spreading of histone modification marks.

  • Authors : Manivannan V; Department of Biosciences and Bioengineering, Indian Institute of Technology Bombay, Mumbai, India.; Inamdar MM

Subjects: Histones*/Histones*/Histones*/metabolism ; Histones*/Histones*/Histones*/chemistry; Diffusion

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 Jul 11; Vol. 20 (7), pp. e1012235. Date of Electronic Publication: 2024 Jul 11 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile.

  • Authors : Bryant P; Department of Mathematics and Informatics, Freie Universität Berlin, Germany.; The Department of Molecular Biosciences, The Wenner-Gren Institute, Stockholm University, Stockholm, Sweden.

Subjects: Computational Biology*/Computational Biology*/Computational Biology*/methods ; Proteins*/Proteins*/Proteins*/chemistry ; Proteins*/Proteins*/Proteins*/metabolism

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 Jul 25; Vol. 20 (7), pp. e1012253. Date of Electronic Publication: 2024 Jul 25 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

A comprehensive exploration of the druggable conformational space of protein kinases using AI-predicted structures.

  • Authors : Herrington NB; Department of Pharmacological Sciences, Icahn School of Medicine at Mount Sinai, New York, New York, United States of America.; Li YC

Subjects: Protein Conformation* ; Protein Kinases*/Protein Kinases*/Protein Kinases*/chemistry ; Protein Kinases*/Protein Kinases*/Protein Kinases*/metabolism

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 Jul 24; Vol. 20 (7), pp. e1012302. Date of Electronic Publication: 2024 Jul 24 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Systematic evaluation of lecithin:cholesterol acyltransferase binding sites in apolipoproteins via peptide based nanodiscs: regulatory role of charged residues at positions 4 and 7.

  • Authors : Niemelä A; Division of Pharmaceutical Biosciences, Faculty of Pharmacy, University of Helsinki, Helsinki, Finland.; Koivuniemi A

Subjects: Phosphatidylcholine-Sterol O-Acyltransferase*/Phosphatidylcholine-Sterol O-Acyltransferase*/Phosphatidylcholine-Sterol O-Acyltransferase*/chemistry ; Phosphatidylcholine-Sterol O-Acyltransferase*/Phosphatidylcholine-Sterol O-Acyltransferase*/Phosphatidylcholine-Sterol O-Acyltransferase*/metabolism ; Molecular Dynamics Simulation*

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 May 28; Vol. 20 (5), pp. e1012137. Date of Electronic Publication: 2024 May 28 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Competition between physical search and a weak-to-strong transition rate-limits kinesin binding times.

  • Authors : Nguyen T; Center for Complex Biological Systems, University of California, Irvine, Irvine, California, United States of America.; Narayanareddy BRJ

Subjects: Kinesins*/Kinesins*/Kinesins*/metabolism ; Kinesins*/Kinesins*/Kinesins*/chemistry ; Protein Binding*

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 May 20; Vol. 20 (5), pp. e1012158. Date of Electronic Publication: 2024 May 20 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Identification of Low-Complexity Domains by Compositional Signatures Reveals Class-Specific Frequencies and Functions Across the Domains of Life.

  • Authors : Cascarina SM; Department of Biochemistry and Molecular Biology, Colorado State University, Fort Collins, Colorado, United States of America.; Ross ED

Subjects: Proteome*/Proteome*/Proteome*/chemistry ; Proteome*/Proteome*/Proteome*/metabolism ; Computational Biology*/Computational Biology*/Computational Biology*/methods

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 May 15; Vol. 20 (5), pp. e1011372. Date of Electronic Publication: 2024 May 15 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

A weak coupling mechanism for the early steps of the recovery stroke of myosin VI: A free energy simulation and string method analysis.

  • Authors : Blanc FEC; Institut de Chimie de Strasbourg, UMR7177, CNRS, Université de Strasbourg, Strasbourg, France.; Structural Motility, Institut Curie, CNRS, UMR144, PSL Research University, Paris, France.

Subjects: Computational Biology*/Computational Biology*/Computational Biology*/methods ; Molecular Dynamics Simulation* ; Myosin Heavy Chains*/Myosin Heavy Chains*/Myosin Heavy Chains*/metabolism

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 Apr 25; Vol. 20 (4), pp. e1012005. Date of Electronic Publication: 2024 Apr 25 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Programming co-assembled peptide nanofiber morphology via anionic amino acid type: Insights from molecular dynamics simulations.

  • Authors : Dong XY; Department of Chemical and Biomolecular Engineering, North Carolina State University, Raleigh, North Carolina, United States of America.; Liu R

Subjects: Nanofibers*/Nanofibers*/Nanofibers*/chemistry; Molecular Dynamics Simulation ; Amino Acids

  • Source: PLoS computational biology [PLoS Comput Biol] 2023 Dec 04; Vol. 19 (12), pp. e1011685. Date of Electronic Publication: 2023 Dec 04 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Beam search decoder for enhancing sequence decoding speed in single-molecule peptide sequencing data.

  • Authors : Kipen J; Division of Information Science and Engineering, Kungsliga Tekniska Högskolan, Stockholm, Stockholm, Sweden.; Jaldén J

Subjects: Proteomics* ; Peptides*/Peptides*/Peptides*/chemistry; Proteins/Proteins/Proteins/chemistry

  • Source: PLoS computational biology [PLoS Comput Biol] 2023 Nov 07; Vol. 19 (11), pp. e1011345. Date of Electronic Publication: 2023 Nov 07 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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Academic Journal

Molecular dynamics simulations reveal how vinculin refolds partially unfolded talin rod helices to stabilize them against mechanical force.

  • Authors : Mykuliak VV; Faculty of Medicine and Health Technology, Tampere University, Tampere, Finland.; Rahikainen R

Subjects: Vinculin*/Vinculin*/Vinculin*/metabolism ; Vinculin*/Vinculin*/Vinculin*/chemistry ; Talin*/Talin*/Talin*/metabolism

  • Source: PLoS computational biology [PLoS Comput Biol] 2024 Aug 07; Vol. 20 (8), pp. e1012341. Date of Electronic Publication: 2024 Aug 07 (Print Publisher: Public Library of Science Country of Publication: United States NLM ID: 101238922 Publication Model: eCollection Cited Medium: Internet

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