computational-biology

Documents about computational-biology

• map3C: a computational tool for processing multiomic single-cell Hi-C data#485001Europe PMC
• MechFind: a computational framework for de novo prediction of enzyme mechanisms#485364Europe PMC
• Automating Brown-headed Cowbird Identification and Multi-Camera 3D Tracking in a Smart Aviary#1067939ScholarlyCommons at Penn
• Automating Brown-headed Cowbird Identification and Multi-Camera 3D Tracking in a Smart Aviary#1067950ScholarlyCommons
• Atomistic Simulations of Fe(CO)₅ Fragmentation Dynamics on a Substrate#253460Figshare
• Knowledge preservation in the era of big science and AI: strategies for sustainable scientific research#283865edoc-Server
• A 3‑Fluoropyridine-Substituted Grubbs III Catalyst as a ¹⁹F NMR Probe for Chain Chelation in ROMP#304143Figshare
• A 3‑Fluoropyridine-Substituted Grubbs III Catalyst as a ¹⁹F NMR Probe for Chain Chelation in ROMP#304144Figshare
• Single-molecule insights into SAM-I riboswitch ligand binding using scaled magnetic force spectroscopy with comparison to conventional biophysical methods#634997Figshare
• Next-generation Janus kinase inhibitors: Integrating synthetic innovation, structural biology, and computational design for precision drug discovery#4503Europe PMC
• A Scoping Review of Synthetic Data Generation by Language Models in Biomedical Research and Application: Data Utility and Quality Perspectives#164216Springer Nature OA
• A Microscopic Origin for the Breakdown of the Stokes–Einstein Relation in Ion Transport#257125Figshare
• Breaking the Stability-Activity-Selectivity Trilemma in Unspecific Peroxygenase through Computation-Based Cross-Regional Combinatorial Mutagenesis#329778Figshare
• A Passive Convergence-Permeable Reactive Barrier Coupling Adsorption and Peroxydisulfate-Driven Degradation for Sustainable Groundwater Remediation of PFOA#382013Figshare
• Impact of Phosphorylation on the Conformational Landscape and Aggregation Behavior of Aβ40: A Comprehensive Computational Study#482291Figshare
• Additional file 1 of Integrated metabolomic and gut microbiota analyses reveal TCA cycle dysfunction in broiler skeletal disorders and the protective effect of L‑malic acid#780716Figshare
• CHARMM36m: an improved force field for folded and intrinsically disordered proteins#7033OpenAlex
• Simulated ancient metagenomic dataset enriched for microbial pathogens#245076api.researchdata.se
• COI reference sequences from BOLD DB#267469api.researchdata.se
• <i>PLoS Computational Biology</i> Issue Image | Vol. 22(6) July 2026#351930PLOS
• Ten quick tips to SNIFF out sustainable and secure scientific software#372091PLOS
• INTOXICOM Workshop Report: Making toxicology tools more accessible and interoperable#453213OSF
• Operational Closure, Predictive Coding, and Psychosis: An Evolutionary Framework for Delusion, Hallucination, and Social Cognition#462522OSF
• Proceedings of the 20th Machine Learning in Computational Biology (MLCB), 10-11 September 2025, New York, NY, USA#489514DBLP
• Overcoming Small-Sample ($N \le 5$) Dendrogram Skewness in Deep-Time Paleontology: A Multi-Dimensional Forensic Integration Pipeline#333584Figshare
• Vegetation, lakes, and sandy areas in arid and semi-arid regions of Northern China: patterns, evolution, and driving forces#208571Figshare
• Porous Core–Shell Nanoparticles Enable Concurrent Flame Retardancy and Mechanical Reinforcement in Silicone Rubber#464136Figshare
• Cascade Synthesis of Pyridoquinazolinones: A Pd-Catalyzed Double C–N Bond Formation Strategy via Intramolecular 1,6-Conjugate Addition#629448Figshare
• Marginal Girsanov Reweighting: Stable Variance Reduction for Long-Time-Scale Dynamics from Biased Simulation#661896Figshare
• Characterizing Variations in Binding Kinetics of Affinity Biosensors: A Boundary-Layer and Site-Quality Approach#784702Figshare
• Self-Catalyzed Transesterification Transforms Ionizable Amphiphilic Janus Dendrimers into Multicomponent Vectors and Generates Complex Design Strategies for mRNA Delivery#996457Figshare
• StringTie enables improved reconstruction of a transcriptome from RNA-seq reads#6756OpenAlex
• Immune-related biomarkers for major depressive disorder identified via integrated bioinformatics and machine learning.#9715PubMed
• Computational State Transfer: An Architectural Style for Decentralized Systems#285486OpenAlex
• Ethical and Scientific Considerations Regarding Animal Testing and Research#340987OpenAlex
• Computational modeling of complex biological and social systems: Applications to ovarian cancer progression and crowd mobility dynamics#348771RUcore, Rutgers University Community Repository
• Advanced Quantum Computing–Integrated Artificial Intelligence for Data Processing Applications: A Comprehensive Review#450706Springer Nature OA
• Decoding the Evolutionary Dynamics and Design Principles of the Regulatory Genome#634840eScholarship
• Introduction to algorithmic antagonisms: Resistance, reconfiguration, and renaissance for computational life#679145OpenAlex
• HotSprint: database of computational hot spots in protein interfaces#934757Koc University Digital Collections
• Supporting workflow reproducibility by linking bioinformatics tools across papers and executable code#1039140HAL (France)
• A Kinetic Model-Driven Techno-Economic Analysis of Plastic Pyrolysis: Linking Process Dynamics to Economic Viability#229679Figshare
• Estimating the heritability of thermal tolerance in Acropora cervicornis and the physiological basis of adaptation that correlates to survival at elevated temperatures#310064UNF Digital Commons
• Towards Accurate and Reliable ICU Outcome Prediction: A Multimodal Learning Framework Based on Belief Function Theory using Structured EHRs and Free-Text Notes#164218Springer Nature OA
• A Computational Modeling and Simulation Approach to Investigate Mechanisms of Subcellular cAMP Compartmentation#612046eScholarship
• Neurons with graded response have collective computational properties like those of two-state neurons.#7238OpenAlex
• PICDGI: A framework for predicting cancer driver genes through dynamic gene-gene interaction modeling of single-cell data#142991Unpaywall
• Refining biomarker-based clustering of cardiovascular inflammatory phenotypes in HIV using Recursive Feature Addition: A comparative evaluation approach#142999Unpaywall
• Characterization of the Role of ING4 in Hematopoietic Stem and Multiprogenitor Cells: An Experimental and Computational Approach#201147Scholar Commons
• A Neuro-Cognitive Quantum Architecture for Trustworthy AI in Ultra-Scarce Medical Environments#228814Springer Nature OA