Molecular Dynamics Simulations: Advances and Applications

Hugo A L Filipe; Luís M S Loura

doi:10.3390/molecules27072105

Molecular Dynamics Simulations: Advances and Applications

Molecules. 2022 Mar 24;27(7):2105. doi: 10.3390/molecules27072105.

Authors

Hugo A L Filipe^{1

2}, Luís M S Loura^{1

3

4}

Affiliations

¹ Coimbra Chemistry Center, Institute of Molecular Sciences (CQC-IMS), University of Coimbra, 3004-535 Coimbra, Portugal.
² CPIRN-IPG, Center of Potential and Innovation of Natural Resources, Polytechnic Institute of Guarda, 6300-559 Guarda, Portugal.
³ CNC, Center for Neuroscience and Cell Biology, 3004-504 Coimbra, Portugal.
⁴ Faculty of Pharmacy, University of Coimbra, 3000-548 Coimbra, Portugal.

Abstract

Molecular dynamics (MD) simulations have led to great advances in many scientific disciplines, such as chemical physics, materials science, and biophysics [...].

Publication types

Editorial

MeSH terms

Biophysics
Molecular Dynamics Simulation*