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Computational study of the structural ensemble of CC chemokine receptor type 5 (CCR5) and its interactions with different ligands
published 17 Oct 2022
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Molecular dynamics study on the effects of charged amino acid distribution under low pH condition to the unfolding of hen egg white lysozyme and formation of beta strands
published 24 Mar 2022
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The mechanism of complex formation between calmodulin and voltage gated calcium channels revealed by molecular dynamics
published 05 Oct 2021
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Stochastic simulation algorithms for Interacting Particle Systems
published 02 Mar 2021
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Comprehensive in silico analysis and molecular dynamics of the superoxide dismutase 1 (SOD1) variants related to amyotrophic lateral sclerosis
published 25 Feb 2021
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Devil in the details: Mechanistic variations impact information transfer across models of transcriptional cascades
published 13 Jan 2021
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Including residual contact information into replica-exchange MD simulations significantly enriches native-like conformations
published 16 Nov 2020
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BD5: An open HDF5-based data format to represent quantitative biological dynamics data
published 12 Aug 2020
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Defining the mobility range of a hinge-type connection using molecular dynamics and metadynamics
published 13 Apr 2020
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Effects of unsaturated fatty acids (Arachidonic/Oleic Acids) on stability and structural properties of Calprotectin using molecular docking and molecular dynamics simulation approach
published 26 Mar 2020
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Stochastic simulation and statistical inference platform for visualization and estimation of transcriptional kinetics
published 26 Mar 2020
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Using experimental gaming simulations to elicit risk mitigation behavioral strategies for agricultural disease management
published 17 Mar 2020
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Investigating the ferric ion binding site of magnetite biomineralisation protein Mms6
published 25 Feb 2020
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