[HTML][HTML] PDBx/mmCIF ecosystem: foundational semantic tools for structural biology
Abstract PDBx/mmCIF, Protein Data Bank Exchange (PDBx) macromolecular
Crystallographic Information Framework (mmCIF), has become the data standard for …
Crystallographic Information Framework (mmCIF), has become the data standard for …
Mol* Viewer: modern web app for 3D visualization and analysis of large biomolecular structures
D Sehnal, S Bittrich, M Deshpande… - Nucleic acids …, 2021 - academic.oup.com
Large biomolecular structures are being determined experimentally on a daily basis using
established techniques such as crystallography and electron microscopy. In addition …
established techniques such as crystallography and electron microscopy. In addition …
[HTML][HTML] PoseBusters: AI-based docking methods fail to generate physically valid poses or generalise to novel sequences
The last few years have seen the development of numerous deep learning-based protein–
ligand docking methods. They offer huge promise in terms of speed and accuracy. However …
ligand docking methods. They offer huge promise in terms of speed and accuracy. However …
RCSB Protein Data Bank: biological macromolecular structures enabling research and education in fundamental biology, biomedicine, biotechnology and energy
Abstract The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB
PDB, rcsb. org), the US data center for the global PDB archive, serves thousands of Data …
PDB, rcsb. org), the US data center for the global PDB archive, serves thousands of Data …
The Bio3D packages for structural bioinformatics
Bio3D is a family of R packages for the analysis of biomolecular sequence, structure, and
dynamics. Major functionality includes biomolecular database searching and retrieval …
dynamics. Major functionality includes biomolecular database searching and retrieval …
Web-based molecular graphics for large complexes
AS Rose, AR Bradley, Y Valasatava… - Proceedings of the 21st …, 2016 - dl.acm.org
The interactive visualization of very large macromolecular complexes on the web is
becoming a challenging problem as experimental techniques advance at an unprecedented …
becoming a challenging problem as experimental techniques advance at an unprecedented …
The EVcouplings Python framework for coevolutionary sequence analysis
Coevolutionary sequence analysis has become a commonly used technique for de novo
prediction of the structure and function of proteins, RNA, and protein complexes. We present …
prediction of the structure and function of proteins, RNA, and protein complexes. We present …
[PDF][PDF] Mol*: Towards a Common Library and Tools for Web Molecular Graphics.
Advances in experimental techniques are providing access to structures of ever more
complex and larger macromolecular systems. Web-browser based visualization and …
complex and larger macromolecular systems. Web-browser based visualization and …
[HTML][HTML] Programming languages in chemistry: a review of HTML5/JavaScript
KJ Theisen - Journal of Cheminformatics, 2019 - Springer
This is one part of a series of reviews concerning the application of programming languages
in chemistry, edited by Dr. Rajarshi Guha. This article reviews the JavaScript technology as it …
in chemistry, edited by Dr. Rajarshi Guha. This article reviews the JavaScript technology as it …
[HTML][HTML] Biotite: a unifying open source computational biology framework in Python
P Kunzmann, K Hamacher - BMC bioinformatics, 2018 - Springer
Background As molecular biology is creating an increasing amount of sequence and
structure data, the multitude of software to analyze this data is also rising. Most of the …
structure data, the multitude of software to analyze this data is also rising. Most of the …