Publications related to Structural genomics

Protein language models trained on multiple sequence alignments learn phylogenetic relationships

Anne-Florence Raphaëlle Bitbol, Damiano Sgarbossa, Umberto Lupo

Self-supervised neural language models with attention have recently been applied to biological sequence data, advancing structure, function and mutational effect prediction. Some protein language models, including MSA Transformer and AlphaFold's EvoFormer, ...

NATURE PORTFOLIO2022

cell2mol: encoding chemistry to interpret crystallographic data

Rubén Laplaza Solanas, Yuri Cho, Sergio Vela Llausi

The creation and maintenance of crystallographic data repositories is one of the greatest data-related achievements in chemistry. Platforms such as the Cambridge Structural Database host what is likely the most diverse collection of synthesizable molecules ...

NATURE PORTFOLIO2022

Phase Reconstruction of Low-Energy Electron Holograms of Individual Proteins

Klaus Kern, Stephan Rauschenbach, Sven Alexander Szilagyi, Hannah Julia Ochner

Low-energy electron holography (LEEH) is one of the few techniques capable of imaging large and complex three-dimensional molecules, such as proteins, on the single molecule level at subnanometer resolution. During the imaging process, the structural infor ...

AMER CHEMICAL SOC2022

Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine

Qian Wang, Jieping Zhu, Alexandre Julien Florent Leclair

A single-electron transfer (SET) oxidation of indole or benzo[b]thiophene to a radical cation reverses the intrinsic polarity of these pi-excessive bicyclic heteroarenes. Here we report an oxidative two-carbon homologation of cyclobutanols to cyclohexenone ...

AMER CHEMICAL SOC2022

A long-term study on structural changes in calcium aluminate silicate hydrates

Christian Ludwig, Barbara Lothenbach, Sonya Barzgar, Yu Yan, Mohamed Tarik

Production of blended cements in which Portland cement is combined with supplementary cementitious materials (SCM) is an effective strategy for reducing the CO2 emissions during cement manufacturing and achieving sustainable concrete production. However, t ...

SPRINGER2022

A generic framework for hierarchical de novo protein design

Bruno Emanuel Ferreira De Sousa Correia, Zander Harteveld, Jaume Bonet Martinez, Fabian Sesterhenn, Stéphane Rosset, Che Yang

De novo protein design enables the exploration of novel sequences and structures absent from the natural protein universe. De novo design also stands as a stringent test for our understanding of the underlying physical principles of protein folding and may ...

NATL ACAD SCIENCES2022

Hierarchical tensile structures with ultralow mechanical dissipation

Tobias Kippenberg, Alberto Beccari, Amirali Arabmoheghi, Nils Johan Engelsen, Sergey Fedorov

Structural hierarchy is found in myriad biological systems and has improved man-made structures ranging from the Eiffel tower to optical cavities. In mechanical resonators whose rigidity is provided by static tension, structural hierarchy can reduce the di ...

NATURE PORTFOLIO2022

Correlations from structure and phylogeny combine constructively in the inference of protein partners from sequences

Anne-Florence Raphaëlle Bitbol, Nicola Dietler, Andonis Samuel Rene Gerardos

Inferring protein-protein interactions from sequences is an important task in computational biology. Recent methods based on Direct Coupling Analysis (DCA) or Mutual Information (MI) allow to find interaction partners among paralogs of two protein families ...

San Francisco2022

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Structural genomics

Protein language models trained on multiple sequence alignments learn phylogenetic relationships

cell2mol: encoding chemistry to interpret crystallographic data

Non-destructive Prediction of the Buckling Load of Cylindrical Shells

Phase Reconstruction of Low-Energy Electron Holograms of Individual Proteins

Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine

A long-term study on structural changes in calcium aluminate silicate hydrates

A generic framework for hierarchical de novo protein design

Hierarchical tensile structures with ultralow mechanical dissipation

Correlations from structure and phylogeny combine constructively in the inference of protein partners from sequences

Real-time shimming with FID navigators

Graph Chatbot

Chat with Graph Search

Phase Reconstruction of Low-Energy Electron Holograms of Individual Proteins

Hierarchical tensile structures with ultralow mechanical dissipation

Correlations from structure and phylogeny combine constructively in the inference of protein partners from sequences

Protein language models trained on multiple sequence alignments learn phylogenetic relationships

Two-Carbon Ring Expansion of Cyclobutanols to Cyclohexenones Enabled by Indole Radical Cation Intermediate: Development and Application to a Total Synthesis of Uleine

Non-destructive Prediction of the Buckling Load of Cylindrical Shells

cell2mol: encoding chemistry to interpret crystallographic data

A generic framework for hierarchical de novo protein design

Real-time shimming with FID navigators

A long-term study on structural changes in calcium aluminate silicate hydrates