Wiley Interdiscip Rev Comput Mol Sci

Multiscale molecular simulations to investigate adenylyl cyclase‐based signaling in the brain

van Keulen SC, Martin J, Colizzi F, ..., Wade RC, Carloni P

Wiley Interdiscip Rev Comput Mol Sci 13 (1) - [2023-01-00; online 2022-06-14]

Pre-exascale HPC approaches for molecular dynamics simulations. Covid-19 research: A use case.

Wieczór M, Genna V, Aranda J, ..., Hospital A, Orozco M

Wiley Interdiscip Rev Comput Mol Sci - (-) e1622 [2022-05-30; online 2022-05-30]

Quantitative predictions from molecular simulations using explicit or implicit interactions

van der Spoel D, Zhang J, Zhang H

Wiley Interdiscip Rev Comput Mol Sci 12 (1) - [2022-01-00; online 2021-06-22]