Improved Method for Quantitative Measurement of OH Radicals Based on Absorption Spectroscopy. [PDF]
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The SIRAH-CoV-2 Initiative: A Coarse-Grained Simulations' Dataset of the SARS-CoV-2 Proteome. [PDF]
Front Med Technol, 2021 Garay PG +5 more
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Molecular Dynamics Simulations of Liposomes: Structure, Dynamics, and Applications. [PDF]
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Collective and Coordinated Conformational Changes Determine Agonism or Antagonism at the Human Trace Amine-Associated Receptor 1. [PDF]
ACS Omega, 2023 Robles AI +3 more
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Recent advances in machine learning and coarse-grained potentials for biomolecular simulations. [PDF]
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Understanding Virus Structure and Dynamics through Molecular Simulations. [PDF]
J Chem Theory Comput, 2023 Lynch DL, Pavlova A, Fan Z, Gumbart JC.
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Effects of All-Atom and Coarse-Grained Molecular Mechanics Force Fields on Amyloid Peptide Assembly: The Case of a Tau K18 Monomer. [PDF]
J Chem Inf ModelHe X, Man VH, Gao J, Wang J.
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Investigation of the pH-dependent aggregation mechanisms of GCSF using low resolution protein characterization techniques and advanced molecular dynamics simulations. [PDF]
Comput Struct Biotechnol J, 2022 Ko SK +7 more
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Creating Coarse-Grained Systems with COBY: Toward Higher Accuracy of Complex Biological Systems. [PDF]
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