Since its inception nearly a half century ago, CHARMM has been playing a central role in
computational biochemistry and biophysics. Commensurate with the developments in …

Computer simulations are indispensable tools for studying the structure and dynamics of
biological macromolecules. Biochemical processes occur on different scales of length and …

Atomistic resolution is the standard for high-resolution biomolecular structures, but
experimental structural data are often at lower resolution. Coarse-grained models are also …

We describe here the PRIMO (protein intermediate model) force field, a physics-based fully
transferable additive coarse-grained potential energy function that is compatible with an all …

Hybrid all-atom/coarse-grained (AA/CG) simulations of proteins offer a computationally
efficient compromise where atomistic details are only applied to biologically relevant regions …

De novo protein structure prediction aims to search for low-energy conformations as it
follows the thermodynamics hypothesis that places native conformations at the global …

Atomistic resolution is considered the standard for high-resolution biomolecular structures,
but coarse-grained models are often necessary to reflect limited experimental resolution or …

An extension of the recently developed PRIMO coarse-grained force field to membrane
environments, PRIMO-M, is described. The membrane environment is modeled with the …

A Complete Bibliography of IEEE/ACM Transactions on Computational Biology and
Bioinformatics Page 1 A Complete Bibliography of IEEE/ACM Transactions on Computational …