NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual

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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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

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 ...

NanoShaperWeb: Molecular Surface and Pocket Detection Made Visual

Chat with Graph Search

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

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

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

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

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

Generation of photoswitchable peptide ligands by phage display

FingerGlass: Efficient Multiscale Interaction on Multitouch Screens

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