Imagen de Portada

Benchmarking open-source tools for in silico antiviral drug discovery

Fuente: arXiv

Guardado en:

Detalles Bibliográficos
Autores principales:	Elton, Daniel C., Estep, Preston W.
Formato:	Preprint
Publicado:	2026
Materias:	Biomolecules Quantitative Methods
Acceso en línea:	Acceder al recurso
Etiquetas:	Agregar Etiqueta Sin Etiquetas, Sea el primero en etiquetar este registro!

Ejemplares similares

Benchmarking structure-based three-dimensional molecular generative models using GenBench3D: ligand conformation quality matters
por: Baillif, Benoit, et al.
Publicado: (2024)

IgCraft: A versatile sequence generation framework for antibody discovery and engineering
por: Greenig, Matthew, et al.
Publicado: (2025)

Combining oligo pools and Golden Gate cloning to create protein variant libraries or guide RNA libraries for CRISPR applications
por: Valero, Alicia Maciá, et al.
Publicado: (2024)

Towards a Unified Framework for Determining Conformational Ensembles of Disordered Proteins
por: Ghafouri, Hamidreza, et al.
Publicado: (2025)

GoForth: Language Models for RNA Design under Structure, Sequence, and Coding Constraints
por: Lindsey, Michael
Publicado: (2026)

Frequency-Space Mechanics: A Sequence and Coordinate-Free Representation for Protein Function Prediction
por: Reilly, Charles B
Publicado: (2026)

Network Pharmacology Framework Characterizes Polypharmacological Properties of Dietary Flavonoids: Integration of Computational, Experimental, and Epidemiological Evidence
por: Fujisaki, Koyo, et al.
Publicado: (2026)

Quantifying the uncertainty of molecular dynamics simulations : Good-Turing statistics revisited
por: Tsampazi, Vasiliki, et al.
Publicado: (2026)

Conformational landscapes in cryo-ET data based on MD simulations
por: Jonic, Slavica
Publicado: (2026)

Non-perturbative Bacterial Identification Directly from Solid Agar Plates Using Raman
por: Kim, Jeong Hee, et al.
Publicado: (2026)

VARIANT: Web Server for Decoding and Analyzing Viral Mutations at Genome and Protein Levels
por: Wang, Rui, et al.
Publicado: (2026)

LAFA: A Framework for Reproducible Longitudinal Assessment of Protein Function Annotation Models
por: Phan, An, et al.
Publicado: (2026)

Protein folding classes -- High-dimensional geometry of amino acid composition space revisited
por: Mao, Boryeu
Publicado: (2025)

Explainable Machine Learning and Deep Learning Models for Predicting TAS2R-Bitter Molecule Interactions
por: Ferri, Francesco, et al.
Publicado: (2024)

Canonicalization of the E value from BLAST similarity search -- dissimilarity measure and distance function for a metric space of protein sequences
por: Mao, Boryeu
Publicado: (2025)

AntiFold: Improved antibody structure-based design using inverse folding
por: Høie, Magnus Haraldson, et al.
Publicado: (2024)

HelixVS: Deep Learning-Enhanced Structure-Based Platform for Screening and Design
por: Zhang, Shanzhuo, et al.
Publicado: (2025)

EscalNet: Learn isotropic representation space for biomolecular dynamics based on effective energy
por: Zuo, Guanghong
Publicado: (2025)

Persistent Sheaf Laplacian Analysis of Protein Flexibility
por: Hayes, Nicole, et al.
Publicado: (2025)

Raman Spectroscopy Reveals Photobiomodulation-Induced α-Helix to β-Sheet Transition in Tubulins: Potential Implications for Alzheimer's and Other Neurodegenerative Diseases
por: Di Gregorio, Elisabetta, et al.
Publicado: (2023)

mRNA Folding Algorithms for Structure and Codon Optimization
por: Ward, Max, et al.
Publicado: (2025)

Two for the Price of One: Integrating Large Language Models to Learn Biophysical Interactions
por: Clark, Joseph D., et al.
Publicado: (2025)

Predicting Protein-Nucleic Acid Flexibility Using Persistent Sheaf Laplacians
por: Hayes, Nicole, et al.
Publicado: (2025)

Quantification of protein homodimer affinity using native mass spectrometry
por: Schulte, Jonathan, et al.
Publicado: (2025)

Substrate Prediction for RiPP Biosynthetic Enzymes via Masked Language Modeling and Transfer Learning
por: Clark, Joseph D., et al.
Publicado: (2024)

Scoring-Assisted Generative Exploration for Proteins (SAGE-Prot): A Framework for Multi-Objective Protein Optimization via Iterative Sequence Generation and Evaluation
por: Lim, Hocheol, et al.
Publicado: (2025)

Impact of Force Field Polarization on Correlated Motions of Proteins
por: Milinski, Ana, et al.
Publicado: (2025)

Characterizing the Conformational States of G Protein Coupled Receptors Generated with AlphaFold
por: Chib, Garima, et al.
Publicado: (2025)

Leveraging Machine Learning Models for Peptide-Protein Interaction Prediction
por: Yin, Song, et al.
Publicado: (2023)

Marginal Girsanov Reweighting: Stable Variance Reduction for Long-Timescale Dynamics from Biased Simulation
por: Wang, Yan, et al.
Publicado: (2025)

Optimizing Convolutional Neural Networks for Identifying Invasive Pollinator Apis Mellifera and Finding a Ligand drug to Protect California's Biodiversity
por: Swaroop, Arnav
Publicado: (2024)

Protein Fold Classification at Scale: Benchmarking and Pretraining
por: Chen, Dexiong, et al.
Publicado: (2026)

Benchmarking AlphaFold3's protein-protein complex accuracy and machine learning prediction reliability for binding free energy changes upon mutation
por: Wee, JunJie, et al.
Publicado: (2024)

Multimodal Spatial Omics: From Data Acquisition to Computational Integration
por: Isik, Esra Busra, et al.
Publicado: (2026)

A Principal Submanifold-based Approach for Clustering and Multiscale RNA Correction
por: Wu, Menghao, et al.
Publicado: (2025)

Modern approaches to improving phase contrast electron microscopy
por: Axelrod, Jeremy J., et al.
Publicado: (2024)

High nucleotide skew palindromic DNA sequences function as replication origins due to their unzipping propensity
por: Sahu, Parthasarathi, et al.
Publicado: (2024)

RNAGenScape: Property-Guided, Optimized Generation of mRNA Sequences with Manifold Langevin Dynamics
por: Liao, Danqi, et al.
Publicado: (2025)

MeTime: An R package for reproducible longitudinal metabolomics data analysis
por: Marella, Bharadwaj, et al.
Publicado: (2026)

TriFit: Trimodal Fusion with Protein Dynamics for Mutation Fitness Prediction
por: Cho, Seungik
Publicado: (2026)