Publications related to NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual

Related publications (10)

Bidirectional path-based non-equilibrium simulations for binding free energy

Estimating free energy is a fundamental computational challenge, especially in complex biological systems characterised by numerous degrees of freedom. In this study, we investigate the potential of leveraging non-equilibrium free energy estimators within ...

Taylor & Francis2024

Computational Approaches to Explore Bacterial Toxin Entry into the Host Cell

Julian Charles Shillcock

Many bacteria secrete toxic protein complexes that modify and disrupt essential processes in the infected cell that can lead to cell death. To conduct their action, these toxins often need to cross the cell membrane and reach a specific substrate inside th ...

2021

How do users interact with Virtual Geographic Environments? Users' behavior evaluation in urban participatory planning

Jens Ingensand, Thibaud Nicolas Chassin

For the past twenty years, the adoption of Virtual Geographic Environments is thriving. This democratization is due to numerous new opportunities offered by this medium. However, in participatory urban planning these interactive 3D geovisualizations are st ...

COPERNICUS GESELLSCHAFT MBH2021

Rosetta FunFolDes - A general framework for the computational design of functional proteins

Bruno Emanuel Ferreira De Sousa Correia, Jaume Bonet Martinez, Stéphane Rosset, Fabian Sesterhenn, Andreas Scheck, Sarah Wehrle, Che Yang, Freyr Sverrisson, Sabrina Susan Vollers, Mélanie Evelyne Villard

The robust computational design of functional proteins has the potential to deeply impact translational research and broaden our understanding of the determinants of protein function and stability. The low success rates of computational design protocols an ...

2018

Novel probes for the non-invasive bioluminescence imaging of mitochondrial membrane potential and dipeptidylpeptidase-4 activity in living animals

Arkadiy Bazhin

Current thesis summarizes the work on development of novel bioluminescent probes for measurement of activity of dipeptidylpep-tidase-4 (DPP-4) and for quantification of mitochondrial membrane potential (MMP). DPP-4 enzyme plays critical role in develop-men ...

EPFL2018

Visualization techniques for heterogeneous and multidimensional simulated building performance data sets

Marilyne Andersen, Emmanuel Rey, Thomas Bernard Paul Jusselme

The architecture, environment and construction industry is facing, on the one hand, ambitious environmental regulations for low carbon and net zero energy buildings, and on the other hand, the emergence of new techniques such as parametric assessment and c ...

2017

Phage selection of peptide macrocycles against b-catenin to interfere with Wnt signaling

Christian Heinis, Jörg Hülsken, Davide Bertoldo, Pierre Vincent Dessen, Maola Khan Mohammad Golam

Upregulation of b-catenin, the primary mediator of the Wnt signaling pathway, plays an important role in the tumorigenesis of several types of human cancer. Targeting b-catenin to interfere with its ability to serve as a translational co-activator is consi ...

2016

Generation of photoswitchable peptide ligands by phage display

Silvia Bellotto

Photoswitchable ligands are used to control and study complex biological systems such as folding of proteins and peptides, enzymatic reactions or neuronal signaling. They are typically developed by conjugating photochromic compounds to known ligands so tha ...

EPFL2015

FingerGlass: Efficient Multiscale Interaction on Multitouch Screens

Mark Pauly

Many tasks in graphical user interfaces require users to interact with elements at various levels of precision. We present FingerGlass, a bimanual technique designed to improve the precision of graphical tasks on multitouch screens. It enables users to qui ...

ACM2011

Switch peptides : in situ nucleation of conformational transitions relevant to protein misfolding diseases

Richard Alan Mimna

Aspects of conformational transitions, folding, and misfolding of peptides and proteins have recently taken center stage in various domains at the interface of chemistry, biology, and medicine because of their impact on protein misfolding diseases. Due to ...

EPFL2005