Reoptimized interaction parameters for the peptide-backbone model compound N-methylacetamide in the GROMOS force field: Influence on the folding properties of two beta-peptides in methanol

Publications associées (30)

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Thick points of the planar GFF are totally disconnected for all & gamma;=6 0*

Juhan Aru

We prove that the set of-y-thick points of a planar Gaussian free field (GFF) with Dirichlet boundary conditions is a.s. totally disconnected for all-y =6 0. Our proof relies on the coupling between a GFF and the nested CLE4. In particular, we show that th ...

INST MATHEMATICAL STATISTICS-IMS2023

The first Grushin eigenvalue on cartesian product domains

Joachim Stubbe, Luigi Provenzano, Paolo Luzzini

In this paper, we consider the first eigenvalue.1(O) of the Grushin operator.G :=.x1 + |x1|2s.x2 with Dirichlet boundary conditions on a bounded domain O of Rd = R d1+ d2. We prove that.1(O) admits a unique minimizer in the class of domains with prescribed ...

WALTER DE GRUYTER GMBH2023

Dataset for "Low-temperature processing of screen-printed piezoelectric KNbO3 with integration onto biodegradable paper substrates"

Danick Briand, Luis Guillermo Villanueva Torrijo, Morgan Mc Kay Monroe

This data set contains the data collected during the FNS project Green Piezo (Grant no. 179064) in association with the recent publication entitled “Low-temperature processing of screen-printed piezoelectric KNbO3 with integration onto biodegradable paper ...

Zenodo2023

Present design of the Steering Mirror Assembly (SMA) for ITER ECHUL

Timothy Goodman, René Chavan, Anastasia Xydou

In the ITER Tokamak, four Electron Cyclotron Heating Upper Launchers (ECHUL) are needed to control plasma instabilities at the rational surfaces, most importantly the q = 3/2 and q = 2/1 neoclassical tearing modes (NTMs). Each ECHUL is equipped with a set ...

2023

Low-temperature processing of screen-printed piezoelectric KNbO3 with integration onto biodegradable paper substrates

Danick Briand, Luis Guillermo Villanueva Torrijo, Morgan Mc Kay Monroe

The development of fully solution-processed, biodegradable piezoelectrics is a critical step in the development of green electronics towards the worldwide reduction of harmful electronic waste. However, recent printing processes for piezoelectrics are hind ...

2023

State of the Art in Dense Monocular Non-Rigid 3D Reconstruction

Pascal Fua

3D reconstruction of deformable (or non-rigid) scenes from a set of monocular 2D image observations is a long-standing and actively researched area of computer vision and graphics. It is an ill-posed inverse problem, since-without additional prior assumpti ...

WILEY2023

A Triethyleneglycol C-60 Mono-adduct Derivative for Efficient Electron Transport in Inverted Perovskite Solar Cells

Mohammad Khaja Nazeeruddin, Konstantina Kalliopi Armadorou, Tobias Seewald

Inverted perovskite solar cells (PSCs) have attracted increasing attention in recent years owing to their low-temperature fabrication proces s. However, they suffer from a limited number of electron transport materials available with [6,6]-phenyl C-61 buty ...

WILEY-V C H VERLAG GMBH2023

Toward Metantennas: Metamaterial-Based Antennas for Wireless Communications

Yuanyan Su

Antennas have historically been the most common electromagnetic (EM) technology for wireless communication systems. Antenna as hardware is entirely dependent on the EM properties of the materials used, mostly related to the permittivity and permeability. I ...

Ieee-Inst Electrical Electronics Engineers Inc2023

Many-body screening effects in liquid water

Alfredo Pasquarello, Igor Reshetnyak, Arnaud Guillaume Lorin

The screening arising from many-body excitations is a crucial quantity for describing absorption and inelastic X-ray scattering (IXS) of materials. Similarly, the electron screening plays a critical role in state-of-the-art approaches for determining the f ...

Nature Portfolio2023

De novo protein design by inversion of the AlphaFold structure prediction network

Bruno Emanuel Ferreira De Sousa Correia, Hamed Khakzad, Casper Alexander Goverde, Stéphane Rosset, Benedict Dieter Gregor Wolf

De novo protein design enhances our understanding of the principles that govern protein folding and interactions, and has the potential to revolutionize biotechnology through the engineering of novel protein functionalities. Despite recent progress in comp ...

2023

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Dataset for "Low-temperature processing of screen-printed piezoelectric KNbO3 with integration onto biodegradable paper substrates"

Danick Briand, Luis Guillermo Villanueva Torrijo, Morgan Mc Kay Monroe

Zenodo2023