Author

Miłosz Wieczór

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Review Open access Sep 2026

Theoretical approaches to tracing conformational polymorphism of proteins.

Proteins are not the rigid, static entities as once suggested by early structural biology studies. Instead, they are highly dynamic molecules that are better represented not by a single reference structure, but by a Boltzmann ensemble of conformations. In this article, we review theoretical approaches to reproducing su...

Miłosz Wieczór, Gerard Carol, Pablo Navarro et al. · Current Opinion in Structura... · 0 citations

Force Fields and Simulation Engines: Lessons Learned from Porting Amber ﬀ14SB and ﬀ19SB to GROMACS

The ported and validated Amber protein force ﬁelds for use with GROMACS reproduce the Amber reference topologies exactly, with per-interaction energies matching to within the single-precision ﬂoating-point limit (< 10 −7 kJ/mol).

Vedran Miletić, Miłosz Wieczór, C. Simmerling et al. · 0 citations