Sparks of function by de novo protein design
Abstract Information in proteins flows from sequence to structure to function, with each step
causally driven by the preceding one. Protein design is founded on inverting this process …
causally driven by the preceding one. Protein design is founded on inverting this process …
Computational chemistry in structure-based solute carrier transporter drug design: Recent advances and future perspectives
G Tu, T Fu, G Zheng, B Xu, R Gou, D Luo… - Journal of chemical …, 2024 - ACS Publications
Solute carrier transporters (SLCs) are a class of important transmembrane proteins that are
involved in the transportation of diverse solute ions and small molecules into cells. There are …
involved in the transportation of diverse solute ions and small molecules into cells. There are …
[HTML][HTML] Evolutionary history and activity towards oligosaccharides and polysaccharides of GH3 glycosidases from an Antarctic marine bacterium
Glycoside hydrolases (GHs) are pivotal in the hydrolysis of the glycosidic bonds of sugars,
which are the main carbon and energy sources. The genome of Marinomonas sp. ef1, an …
which are the main carbon and energy sources. The genome of Marinomonas sp. ef1, an …
Applicability of AlphaFold2 in the modeling of dimeric, trimeric, and tetrameric coiled‐coil domains
R Madaj, M Martinez‐Goikoetxea, K Kaminski… - Protein …, 2025 - Wiley Online Library
Coiled coils are a common protein structural motif involved in cellular functions ranging from
mediating protein–protein interactions to facilitating processes such as signal transduction …
mediating protein–protein interactions to facilitating processes such as signal transduction …
Neural Network Potentials for Enabling Advanced Small-Molecule Drug Discovery and Generative Design
S Barnett, JD Chodera - GEN Biotechnology, 2024 - liebertpub.com
Despite a Cambrian explosion in therapeutic modalities, small-molecule drugs remain a
prominent and advantageous medical intervention. The universe of synthesizable, drug-like …
prominent and advantageous medical intervention. The universe of synthesizable, drug-like …
Modeling Protein Conformations by Guiding AlphaFold2 with Distance Distributions. Application to Double Electron Electron Resonance (DEER) Spectroscopy.
We describe a modified version of AlphaFold2 that incorporates experiential distance
distributions into the network architecture for protein structure prediction. Harnessing the …
distributions into the network architecture for protein structure prediction. Harnessing the …
Predicting metal-protein interactions using cofolding methods: Status quo
SL Duerr, U Rothlisberger - bioRxiv, 2024 - biorxiv.org
Metals play important roles for enzyme function and many therapeutically relevant proteins.
Despite the fact that the first drugs developed via computer aided drug design were …
Despite the fact that the first drugs developed via computer aided drug design were …