We propose the SolvBERT model, an attention-based NLP model that predicts multiple solvation properties.

In this study we investigated the interaction behavior between thirteen different small peptides and a hydrophobic surface using three progressively more complex methods of representing solvation effects: a united-atom implicit solvation method [CHARMM 19 force field (C19) with Analytical Continuum Electrostatics (ACE)], an all-atom implicit solvation method (C22 with GBMV), and an all-atom exp...

The effect of solvation on the adsorption of organic molecules on graphite at room temperature has been addressed with force-field molecular dynamics simulations. As a model system, the solvation of a bis(terpyridine) isomer in water and 1,2,4-trichlorobenzene was studied with an explicit solvation model. The inclusion of solvation has a noticeable effect on adsorption energies. Although the re...

We study the solvation properties of the ionic liquid 1-ethyl-3-methylimidazolium acetate ([EMIM](+)[ACE](-)) and the resulting dynamic behavior for differently charged model solutes at room temperature via atomistic molecular dynamics (MD) simulations of 300 ns length and 200 ns equilibration time. The solutes are simple model spheres which are either positively or negatively charged with a va...

in this study an empirical model which can be used to predict the rutting parameter (g*/sinδ) for neat and powder rubber modified bitumen describes. the model was developed using 36 unique powder rubber modified bitumen combinations, rubber concentrations were varied at 5% intervals between 5 and 20%. the effects of powder rubber particle size on model accuracy were also studied ultimately a mo...

We consider the most general form for eleven dimensional supersymmetry compatible with on-shell superfields. This allows for the introduction of a conformal Spin(1, 10) connection. In eleven dimensional Minkowski space this modification is trivial and can be removed by a field redefinition, however, upon compactifica-tion on S 1 it is possible to introduce a non-trivial 'Wilson line'. The resul...

The excess numbers of blue galaxies at faint magnitudes are a long-standing cosmo-logical puzzle. We present new number-magnitude counts as a function of galactic morphology from the rst deep elds of the Cycle 4 Hubble Space Telescope Medium Deep Survey project. From a sample of 301 galaxies we deene counts for elliptical, spiral and irregular/peculiar galaxies to I = 22. We nd two principal re...

On 13 January 2012, the Italian vessel, Costa Concordia, wrecked offshore Giglio Island, along the coast of Tuscany (Italy). The ship partially sunk, lying on the starboard side on a 22° steep rocky seabed, making the stability conditions of the ship critically in danger of sliding, shifting and settling. The tilted position of the ship created also pernicious conditions for the divers involved...

This paper discusses for generating realistic network traffic for the emulated Internet [5]. For emulating entire of elements of the real Internet on our testbed, we have been trying on constructing emulated inter-AS network. In this paper, we explore the suitable traffic generator which is able to emulate the real Internet traffic in the testbed. However, the existing generators do not equip f...