Solvent Effect on the Structure and Properties of RGD Peptide (1FUV) at Body Temperature (310 K) Using Ab Initio Molecular Dynamics
Article in Polymers (October 2021)
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Machine Learning for Chemical Reactions
Article in Chemical Reviews (June 2021)
Predicting Protein Folding and Protein Stability by Molecular Dynamics Simulations for Computational Drug Discovery
Book chapter (February 2021)