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Towards understanding the interaction of β-lactoglobulin with capsaicin: Multi-spectroscopic, thermodynamic, molecular docking and molecular dynamics simulation approaches - ScienceDirect
Numerical modelling and simulation for extrusion-based 3D concrete printing: The underlying physics, potential, and challenges - ScienceDirect
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Replica exchange molecular dynamics simulations reveal self-association sites in M-crystallin caused by mutations provide insights of cataract | Scientific Reports
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Candidate Binding Sites for Allosteric Inhibition of the SARS-CoV-2 Main Protease from the Analysis of Large-Scale Molecular Dynamics Simulations | The Journal of Physical Chemistry Letters
Translation of Chemical Structure into Dissipative Particle Dynamics Parameters for Simulation of Surfactant Self-Assembly | The Journal of Physical Chemistry B
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