Concept

Homology modeling

Related publications (29)

Cryogenic Infrared Action Spectroscopy Fingerprints the Hydrogen Bonding Network in Gas-Phase Coumarin Cations

Thomas Rizzo, Eduardo Carrascosa Casado, Robert Paul Pellegrinelli

We report cryogenic vibrational spectra of gas-phase cations of two common hydroxycoumarins, scopoletin and esculetin, as well as their glycosidic derivatives, scopolin and esculin. The study allows direct observation of the intramolecular interactions bet ...

2020

Fast Transformers with Clustered Attention

François Fleuret, Apoorv Vyas, Angelos Katharopoulos

Transformers have been proven a successful model for a variety of tasks in sequence modeling. However, computing the attention matrix, which is their key component, has quadratic complexity with respect to the sequence length, thus making them prohibitivel ...

2020

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

Pancreatic beta cell based optical biosensor and system for continuous glucose monitoring

Catherine Dehollain, Nicolas Bouche, Christophe Boss, Bakul Jitendra Vinchhi, Ninad Dilip Agashe

A bio-electronics system that measures cytosolic [Ca2+] in vitro in the INS-1E pancreatic beta-cells using a 430 nm excitation light with the excitation wavelength of the probe being at 435 nm was successfully implemented and tested. We transfected the INS ...

IEEE2019

A sequence-dependent coarse-grain model of B-DNA with explicit description of bases and phosphate groups parametrised from large scale Molecular Dynamics simulations

Alessandro Samuele Patelli

We introduce a sequence-dependent coarse-grain model of double-stranded DNA with an explicit description of both the bases and the phosphate groups as interacting rigid-bodies. The model parameters are trained on extensive, state-of-the-art large scale mol ...

EPFL2019

Increased drug permeability of a stiffened mycobacterial outer membrane in cells lacking MFS transporter Rv1410 and lipoprotein LprG

Georg Fantner, Haig Alexander Eskandarian

The major facilitator superfamily transporter Rv1410 and the lipoprotein LprG (Rv1411) are encoded by a conserved two-gene operon and contribute to virulence in Mycobacterium tuberculosis. Rv1410 was originally postulated to function as a drug efflux pump, ...

2019

DNA-BSA interaction, cytotoxicity and molecular docking of mononuclear zinc complexes with reductively cleaved N2S2 Schiff base ligands

Farzaneh Fadaei Tirani, Kurt Schenk

The synthesis of three potentially tetradentate, N2S2 Schiff-base-ligands, containing a disulfide bond, (LSSLThio)-S-Thio(L1), (LSSLBr)-S-Br(L2) and (LSSLDiMeO)-S-DiMeO (L3) are reported. These ligands undergo reductive disulfide bond scission upon reactio ...

ELSEVIER SCIENCE SA2018

Generalized Skipgrams for Pattern Discovery in Polyphonic Streams

Martin Alois Rohrmeier, Markus Franz Josef Neuwirth, Christoph Finkensiep

The discovery of patterns using a minimal set of assumptions constitutes a central challenge in the modeling of polyphonic music and complex streams in general. Skipgrams have been found to be a powerful model for capturing semi-local dependencies in seque ...

2018