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Conformations of a highly expressed Z19 α-zein studied with AlphaFold2 and MD simulations
published 08 May 2024
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MVMRmode: Introducing an R package for plurality valid estimators for multivariable Mendelian randomisation
published 07 May 2024
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Comparison of double chevron-cut and biplanar distal femoral osteotomy techniques: A biomechanical study
published 18 Apr 2024
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Targeting Sirtuin 1 for therapeutic potential: Drug repurposing approach integrating docking and molecular dynamics simulations
published 20 Dec 2023
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Interaction of biomolecules with anatase, rutile and amorphous TiO2 surfaces: A molecular dynamics study
published 05 Sep 2023
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Protocol for the development of coarse-grained structures for macromolecular simulation using GROMACS
published 03 Aug 2023
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Does joint impedance improve dynamic leg simulations with explicit and implicit solvers?
published 03 Jul 2023
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Computer simulation approach to the identification of visfatin-derived angiogenic peptides
published 29 Jun 2023
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Across atoms to crossing continents: Application of similarity measures to biological location data
published 15 May 2023
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Morphoscanner2.0: A new python module for analysis of molecular dynamics simulations
published 27 Apr 2023
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DagSim: Combining DAG-based model structure with unconstrained data types and relations for flexible, transparent, and modularized data simulation
published 14 Apr 2023
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Deciphering the relational dynamics of AF-2 domain of PAN PPAR through drug repurposing and comparative simulations
published 31 Mar 2023
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Understanding the self-assembly dynamics of A/T absent ‘four-way DNA junctions with sticky ends’ at altered physiological conditions through molecular dynamics simulations
published 08 Feb 2023
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