Ludovico Pipitò

Molecular dynamics studies reveal structural and functional features of the SARS‐CoV‐2 spike protein

C. Reynolds, Roxana-Maria Rujan, Ludovico Pipitò, 2022, BioEssays : news and reviews in molecular, cellular and developmental biology.

Understanding The Role of Heparinoids on the SARS-CoV-2 Spike Protein through Molecular Dynamics Simulations

C. Reynolds, Ludovico Pipitò, Giuseppe Deganutti, 2022, bioRxiv.

Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)

S. Moro, C. Reynolds, Antonella Ciancetta, 2023, bioRxiv.

Is the Stalk of the SARS-CoV-2 Spike Protein Druggable?

C. Reynolds, Ludovico Pipitò, Giuseppe Deganutti, 2022, bioRxiv.

Hidden GPCR structural transitions addressed by multiple walker supervised molecular dynamics (mwSuMD)

S. Moro, C. Reynolds, Antonella Ciancetta, 2023, bioRxiv.

A Pathway Model to Understand the Evolution of Spike Protein Binding to ACE2 in SARS-CoV-2 Variants

C. Reynolds, J. Mobarec, Owen N. Vickery, 2022, Biomolecules.

Targeting hPKM2 in cancer: A bio isosteric approach for ligand design

Ludovico Pipitò, Giuseppe Deganutti, T. A. Illingworth, 2023, Comput. Biol. Medicine.

Computer-aided de novo design and optimization of novel potential inhibitors of HIV-1 Nef protein

Dwaipayan Chaudhuri, S. Majumder, J. Datta, 2023, Comput. Biol. Chem..