12 papers · ranked by Valyu relevance
Steven Shave, Yan-Kai Chen, Nhan T. Pham, Manfred Auer
Understanding multicomponent binding interactions in protein-ligand, protein-protein and competition systems is essential for fundamental biology and drug discovery. Hand deriving equations quickly becomes unfeasible when the number of components is increased, and direct analytical solutions only exist to a certain…
Yangyang Li, Rendong Yang
We introduce PxBLAT, a Python library designed to enhance usability and efficiency in interacting with the BLAST-like alignment tool (BLAT). PxBLAT provides an intuitive application programming interface (API) design, allowing the incorporation of its functionality directly into Python-based bioinformatics workflows.…
Dilawar Singh, Steven S. Andrews
Smoldyn is a particle-based biochemical simulator that is frequently used for systems biology and biophysics research. Previously, users could only define models using text-based input or a C/C++ applicaton programming interface (API), which were convenient, but limited extensibility. We added a Python API to Smoldyn…
Erick Martins Ratamero, Kiya Govek, Julio Mateos Langerak, Fernando Cervantes Sanchez + 1 more
Many research laboratories need to manage, process, and analyze the increasingly large volumes and complexity of data being produced by state-of-the-art bioimaging platforms. OMERO is a popular open-source client-server application that provides a unified interface for managing and working with bioimages and their…
Marie Mille, Julie Ripoll, Bastien Cazaux, Eric Rivals
Seeking probabilistic motifs in a sequence is a common task to annotate putative transcription factor binding sites (TFBS). Useful motif representations include Position Weight Matrices (PWMs), dinucleotidic PWMs (di-PWMs), and Hidden Markov Models (HMMs). Dinucleotidic PWMs combine the simplicity of PWMs – a matrix…
Keyu Xu, Zeyuan Di, Jianquan Zhao, Haicang Zhang + 1 more
Proteins are essential biological macromolecules that play a crucial role in living organisms. Protein-protein interactions, which govern various biological processes such as signal transduction, cell metabolism, and cell growth, are key aspect of protein function. The strength of these interactions, characterized by…
David Miguel Susano Pinto, Mick A Phillips, Nicholas Hall, Julio Mateos–Langerak + 5 more
Custom built microscopes often require control of multiple hardware devices and precise hardware coordination. It is also desirable to have a solution that is scalable to complex systems and translatable between components from different manufacturers. Here we report Python-Microscope, a free and open source Python…
Stephanie Sammut, Katarina Gresova, Dimosthenis Tzimotoudis, Eva Marsalkova + 2 more
MicroRNAs (miRNAs) are crucial regulators of gene expression, but the precise mechanisms governing their binding to target sites remain unclear. A major contributing factor to this is the lack of unbiased experimental datasets for training accurate prediction models. While recent experimental advances have provided…
Leopold Endres, Tobias Olenyi, Kyra Erckert, Konstantin Weißenow + 2 more
Identifying residues in a protein involved in ligand binding is important for understanding its function. bindEmbed21DL is a Machine Learning method which predicts protein-ligand binding on a per-residue level using embeddings derived from the protein Language Model (pLM) ProtT5. This method relies solely on sequences…
Knut Rand, Ivar Grytten, Milena Pavlovic, Chakravarthi Kanduri + 1 more
Python is a popular and widespread programming language for scientific computing, in large part due to the powerful array programming library NumPy, which makes it easy to write clean, vectorized and efficient code for handling large datasets. A challenge with using array programming for biological data is that the…
Endre Bakken Stovner, Pål Sætrom
Complex genomic analyses often use sequences of simple set operations like intersection, overlap, and nearest on genomic intervals. These operations, coupled with some custom programming, allow a wide range of analyses to be performed. To this end, we have written PyRanges, a data structure for representing and…
Nezar Abdennur, Geoffrey Fudenberg, Ilya Flyamer, Aleksandra A. Galitsyna + 3 more
Genomic intervals are one of the most prevalent data structures in computational genome biology, and used to represent features ranging from genes, to DNA binding sites, to disease variants. Operations on genomic intervals provide a language for asking questions about relationships between features. While there are…