The HADDOCK2. 4 web server for integrative modeling of biomolecular complexes
Interactions between macromolecules, such as proteins and nucleic acids, are essential for
cellular functions. Experimental methods can fail to provide all the information required to …
cellular functions. Experimental methods can fail to provide all the information required to …
Structural biology in the clouds: the WeNMR-EOSC ecosystem
RV Honorato, PI Koukos, B Jiménez-García… - Frontiers in molecular …, 2021 - frontiersin.org
Structural biology aims at characterizing the structural and dynamic properties of biological
macromolecules at atomic details. Gaining insight into three dimensional structures of …
macromolecules at atomic details. Gaining insight into three dimensional structures of …
Transmissible SARS-CoV-2 variants with resistance to clinical protease inhibitors
Vaccines and drugs have helped reduce disease severity and blunt the spread of severe
acute respiratory syndrome coronavirus 2 (SARS-CoV-2). However, ongoing virus …
acute respiratory syndrome coronavirus 2 (SARS-CoV-2). However, ongoing virus …
High‐accuracy protein structure prediction in CASP14
The application of state‐of‐the‐art deep‐learning approaches to the protein modeling
problem has expanded the “high‐accuracy” category in CASP14 to encompass all targets …
problem has expanded the “high‐accuracy” category in CASP14 to encompass all targets …
AlphaFold2 reveals commonalities and novelties in protein structure space for 21 model organisms
Deep-learning (DL) methods like DeepMind's AlphaFold2 (AF2) have led to substantial
improvements in protein structure prediction. We analyse confident AF2 models from 21 …
improvements in protein structure prediction. We analyse confident AF2 models from 21 …
Structure, folding and flexibility of co-transcriptional RNA origami
RNA origami is a method for designing RNA nanostructures that can self-assemble through
co-transcriptional folding with applications in nanomedicine and synthetic biology. However …
co-transcriptional folding with applications in nanomedicine and synthetic biology. However …
A compact vocabulary of paratope-epitope interactions enables predictability of antibody-antigen binding
Antibody-antigen binding relies on the specific interaction of amino acids at the paratope-
epitope interface. The predictability of antibody-antigen binding is a prerequisite for de novo …
epitope interface. The predictability of antibody-antigen binding is a prerequisite for de novo …
High-throughput identification of prefusion-stabilizing mutations in SARS-CoV-2 spike
Designing prefusion-stabilized SARS-CoV-2 spike is critical for the effectiveness of COVID-
19 vaccines. All COVID-19 vaccines in the US encode spike with K986P/V987P mutations to …
19 vaccines. All COVID-19 vaccines in the US encode spike with K986P/V987P mutations to …
RNA origami scaffolds facilitate cryo-EM characterization of a Broccoli–Pepper aptamer FRET pair
N Sampedro Vallina, EKS McRae… - Nucleic Acids …, 2023 - academic.oup.com
Cryogenic electron microscopy (cryo-EM) is a promising method for characterizing the
structure of larger RNA structures and complexes. However, the structure of individual …
structure of larger RNA structures and complexes. However, the structure of individual …
Probing the biophysical constraints of SARS-CoV-2 spike N-terminal domain using deep mutational scanning
Increasing the expression level of the SARS-CoV-2 spike (S) protein has been critical for
COVID-19 vaccine development. While previous efforts largely focused on engineering the …
COVID-19 vaccine development. While previous efforts largely focused on engineering the …