… of the UNRES package have been originally written in FORTRAN 77; recently, a FORTRAN
90 version has been released [58]. To store coordinates from MD/MREMD, this new version …

… package includes the standard version of UNRES (with which the simulations reported in this
chapter were performed) and the latest … original FORTRAN 77 and the newer FORTRAN 90 …

… The all-atom force fields enable us to study the systems … -based coarse-grained UNRES
force field to treat systems with … new potentials were subsequently introduced into UNRES …

… of UNRES. This difference often means that the simulations are doable with the new version
… : the model adopted within UNRES, an overview of the UNRES simulator as well as state-of-…

… coarse-grained force field, such as UNRES [44], a component of the UNICORN package [45],
or … are based on three force fields: the all-atom ff19SB force field coupled with the four-point …

… and standard all-atom force fields. We demonstrate extensive … -of-the-art intramolecular
force field can be combined with an … using different MC program packages developed to model …

… Uses a force field with the concept of hydropathic interactions (HINT) as its noncovalent force
field and exhaustive enumeration for optimization. The method uses coordinate data for the …

… We only mention that different force fields can lead to rather different tertiary structures, (216)
and one has to carefully test the parametrization for specific biochemical applications. On a …

… In September 2021, the La Fossa crater at Vulcano, in Italy, entered a new phase of unrest.
… different phases of the unrest, thus allowing a consistent evaluation of the multiple hazards. …

… To evaluate the performance of KORP-PL in large-scale virtual screening tasks, we have
assessed it on 90 targets from the DUD-E benchmark. As shown in Table 1 and Figure 5, KORP…