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Concept

CASP

Related publications (29)

Graph-to-Graph Transformer for Transition-based Dependency Parsing

James Henderson, Alireza Mohammadshahi

We propose the Graph2Graph Transformer architecture for conditioning on and predicting arbitrary graphs, and apply it to the challenging task of transition-based dependency parsing. After proposing two novel Transformer models of transition-based dependenc ...

Association for Computational Linguistics2020

Will Cryo-Electron Microscopy Shift the Current Paradigm in Protein Structure Prediction?

Matteo Dal Peraro, Luciano Andres Abriata

Protein dynamics is undoubtedly a pervasive ingredient in all biological functions. However, structural biology has been strongly driven by a static-centered view of protein architecture. We argue that the recent advances of cryo-electron microscopy (EM) h ...

AMER CHEMICAL SOC2020

A further leap of improvement in tertiary structure prediction in CASP13 prompts new routes for future assessments

Matteo Dal Peraro, Luciano Andres Abriata, Giorgio Elikem Tamo

We present our assessment of tertiary structure predictions for hard targets in Critical Assessment of Structure Prediction round 13 (CASP13). The analysis includes (a) assignment and discussion of best models through scores-aided visual inspection of mode ...

WILEY2019

A comparative study on network alignment techniques

Thành Tâm Nguyên, Quoc Viet Hung Nguyen, Chi Thang Duong, Thanh Trung Huynh

Network alignment is a method to align nodes that belong to the same entity from different networks. A well-known application of network alignment is to map user accounts from different social networks that belong to the same person. As network alignment h ...

PERGAMON-ELSEVIER SCIENCE LTD2019

Large-Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction

Michele Ceriotti, Sandip De

Predictive computational methods have the potential to significantly accelerate the discovery of new materials with targeted properties by guiding the choice of candidate materials for synthesis. Recently, a planar pyrrole-based azaphenacene molecule (pyri ...

2018

Methods and Approaches for Blind Test Predictions of Out-Of-Plane Behavior of Masonry Walls: A Numerical Comparative Study

Katrin Beyer

Earthquakes cause severe damage to masonry structures due to inertial forces acting in the normal direction to the plane of the walls. The out-of-plane behavior of masonry walls is complex and depends on several parameters, such as material and geometric p ...

2017

Anharmonic and Quantum Fluctuations in Molecular Crystals: A First-Principles Study of the Stability of Paracetamol

Michele Ceriotti, Mariana Rossi Carvalho, Piero Gasparotto

Molecular crystals often exist in multiple competing polymorphs, showing significantly different physicochemical properties. Computational crystal structure prediction is key to interpret and guide the search for the most stable or useful form, a real chal ...

2016

Geomechanical modelling of CO₂ injection in deep aquifers

Chao Li

CO2 sequestration in deep geological formations is considered as a promising technology to reduce the impact of CO2 on the greenhouse effect. Practically, large-volume of CO2 could be injected into a system that consists of a highly porous host reservoir c ...

EPFL2016

Protein-protein structure prediction by scoring molecular dynamics trajectories of putative poses

Bruno Emanuel Ferreira De Sousa Correia, Stefano Zamuner

The prediction of protein-protein interactions and their structural configuration remains a largely unsolved problem. Most of the algorithms aimed at finding the native conformation of a protein complex starting from the structure of its monomers are based ...

Wiley-Blackwell2016