- E₆ GUT Cascade Model: 3 Generations = 3 Gauge Breakings
2026/07/26 by E.U.O. · 1 voice
Biochemistry, Genetics and Molecular Biology · Environmental Science · Materials Science · #Enzyme Structure and Function #Methane Hydrates and Related Phenomena #Protein Structure and Dynamics
- How are evolutionarily young and old proteins distributed in sequence space?
2026/07/24 by Lars A. Eicholt, Ágnes Tóth-Petróczy, Richard A. Goldstein +1 · 1 voice
Biochemistry, Genetics and Molecular Biology · #Protein Structure and Dynamics #RNA and protein synthesis mechanisms #Machine Learning in Bioinformatics
- α-π-Helix: Geometric Unification of Fundamental Constants
2026/07/23 by QNFO Research Pipeline · 1 voice
Biochemistry, Genetics and Molecular Biology · Materials Science · #Advanced Electron Microscopy Techniques and Applications #Protein Structure and Dynamics #Quasicrystal Structures and Properties
- Learning from trypsin(ogen) structures: conformational flexibility and functional disorder
2026/07/18 by Milton T. Stubbs · 1 voice
Biochemistry, Genetics and Molecular Biology · Medicine · #Biochemical and Structural Characterization #Monoclonal and Polyclonal Antibodies Research #Protein Structure and Dynamics
- Coarse-grained simulations of long intrinsically disordered proteins: a benchmark of Martini 3 force-fields
2026/07/17 by Christina Goss, Camilo Aponte‐Santamaría, Frauke Gräter · 1 voice
Biochemistry, Genetics and Molecular Biology · Physics and Astronomy · Environmental Science · #Protein Structure and Dynamics #Force Microscopy Techniques and Applications #Bacteriophages and microbial interactions
- Predicting Biomolecular Interactions in the Next Decade:Physics-Based Methods Meet AI-Driven Approaches
2026/07/17 by Ruqaiya Khalil, Elena Frasnetti, Han Kurt +4 · 1 voice
Materials Science · Biochemistry, Genetics and Molecular Biology · Computer Science · #Machine Learning in Materials Science #Protein Structure and Dynamics #Computational Drug Discovery Methods
- Selective miniprotein inhibitors of Aurora-A kinase designed using interaction-motif scaffolding
2026/07/13 by Jennifer A. Miles, Bob Schiffrin, James Holder +6 · 1 voice
Biochemistry, Genetics and Molecular Biology · Chemistry · #Microtubule and mitosis dynamics #Supramolecular Chemistry and Complexes #Protein Structure and Dynamics
- Large-scale discovery, analysis and design of protein energy landscapes
2026/05/13 by A. Ferrari, Sugyan M. Dixit, Jane Thibeault +12 · 2 voices · 1 citation
Chemistry · Biochemistry, Genetics and Molecular Biology · #Mass Spectrometry Techniques and Applications #Protein Structure and Dynamics #Advanced Proteomics Techniques and Applications
- Evaluating generalization in protein–ligand cofolding methods
2026/05/01 by Peter Škrinjar, Jérôme Eberhardt, Gabriel Studer +3 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Protein Structure and Dynamics #Computational Drug Discovery Methods #Machine Learning in Materials Science
- Extending Conformational Ensemble Prediction to Multidomain Proteins and Protein Complex
2026/01/15 by Junjie Zhu, Sören von Bülow, Hongyi Liu +2 · 1 voice · 2 citations
Biochemistry, Genetics and Molecular Biology · #Protein Structure and Dynamics #Bioinformatics and Genomic Networks #Machine Learning in Bioinformatics
- Knowledge Distillation of a Protein Language Model Yields a Foundational Implicit Solvent Model
2026/01/08 by Justin Airas, Bin Zhang · 3 voices
Biochemistry, Genetics and Molecular Biology · Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #Protein Structure and Dynamics #Quantum many-body systems #physics.bio-ph #physics.chem-ph #physics.comp-ph
- Biomolecular condensate architecture of an autophagic cargo at molecular resolution in situ
2026/01/08 by Emily Boyle, Sergio Cruz-León, Javier Lizarrondo +10 · 2 voices
Biochemistry, Genetics and Molecular Biology · Medicine · #Protein Structure and Dynamics #Autophagy in Disease and Therapy #Cellular transport and secretion
- Influenza hemagglutinin subtypes have different sequence constraints despite sharing extremely similar structures
2026/01/06 by Jenny Ahn, Timothy C. Yu, Bernadeta Dadonaite +2 · 1 voice · 1 citation
Medicine · Biochemistry, Genetics and Molecular Biology · Immunology and Microbiology · #Influenza Virus Research Studies #Protein Structure and Dynamics #interferon and immune responses
- Molecular Quantum Computations on a Protein
2025/12/18 by Akhil Shajan, Danil Kaliakin, Shajan, Akhil +17 · 2 citations
Physics and Astronomy · Biochemistry, Genetics and Molecular Biology · Computer Science · #Advanced Chemical Physics Studies #Protein Structure and Dynamics #Quantum Computing Algorithms and Architecture
- A Foundation Model for Accurate Atomistic Simulations in Drug Design
2025/12/17 by Thomas Plé, Olivier Adjoua, Anouar Benali +4 · 1 voice · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics
- Toward Automated Physics-Based Absolute Drug Residence Time Predictions
2025/12/09 by Zachary Smith, Davide Branduardi, Dmitry Lupyan +4 · 1 voice · 1 citation
Computer Science · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Protein Degradation and Inhibitors #Protein Structure and Dynamics
- Computational enzyme design by catalytic motif scaffolding
2025/12/03 by Markus Braun, Adrian Tripp, Morakot Chakatok +13 · 1 voice · 3 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · #Cyclopropane Reaction Mechanisms #Enzyme Catalysis and Immobilization #Protein Structure and Dynamics
- Unlocking hidden biomolecular conformational landscapes in diffusion models at inference time
2025/12/02 by Jessica Karaguesian, Richman, Daniel D., Carl‐Mikael Suomivuori +4 · 2 citations
Biochemistry, Genetics and Molecular Biology · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Gene Regulatory Network Analysis #Genomics and Chromatin Dynamics #Machine Learning (cs.LG) #Protein Structure and Dynamics
- Swarms of Large Language Model Agents for Protein Sequence Design with Experimental Validation
2025/11/27 by Fiona Y. Wang, Wang, Fiona Y., Di Sheng Lee +5 · 1 citation
Biochemistry, Genetics and Molecular Biology · #Protein Structure and Dynamics #RNA and protein synthesis mechanisms #Machine Learning in Bioinformatics
- AlphaFlex: Ensembles of the human proteome representing disordered regions
2025/11/25 by Zi Hao Liu, Oufan Zhang, Stefano De Castro +9 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · #Protein Structure and Dynamics #Bioinformatics and Genomic Networks #Machine Learning in Bioinformatics
- Uncovering the flexibility of CDR loops in antibodies and TCRs through large-scale molecular dynamics
2025/11/12 by Matteo Cagiada, Fabian C. Spoendlin, King Ifashe +1 · 1 voice · 1 citation
Medicine · Biochemistry, Genetics and Molecular Biology · #Monoclonal and Polyclonal Antibodies Research #Protein Structure and Dynamics #vaccines and immunoinformatics approaches
- Blind Prediction of Complex Water and Ion Ensembles Around <scp>RNA</scp> in <scp>CASP16</scp>
2025/11/08 by Rachael C. Kretsch, Elisa Posani, Eugene F. Baulin +48 · 2 voices · 2 citations
Biochemistry, Genetics and Molecular Biology · #RNA and protein synthesis mechanisms #Advanced Electron Microscopy Techniques and Applications #Protein Structure and Dynamics
- A fast and rigorous numerical tool to measure length-scale artifacts in molecular simulations
2025/11/03 by Benedikt M. Reible, Reible, Benedikt M., Nils Liebreich +5 · 1 citation
Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · #Protein Structure and Dynamics #Advanced Physical and Chemical Molecular Interactions #Advanced Chemical Physics Studies
- Assessment of Nucleic Acid Structure Prediction in <scp>CASP16</scp>
2025/10/30 by Rachael C. Kretsch, Alissa M. Hummer, Shujun He +6 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · #Computational Drug Discovery Methods #Machine Learning in Bioinformatics #Protein Structure and Dynamics
- Triangle Multiplication Is All You Need For Biomolecular Structure Representations
2025/10/21 by Jeffrey Ouyang-Zhang, Ouyang-Zhang, Jeffrey, P. Thirusakthi Murugan +17 · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · #Protein Structure and Dynamics #Computational Drug Discovery Methods #Machine Learning in Bioinformatics
- CryoDyna: Multiscale end-to-end modeling of cryo-EM macromolecule dynamics with physics-aware neural network
2025/10/18 by Chengwei Zhang, Zhang, Chengwei, Shimian Li +10 · 1 citation
Biochemistry, Genetics and Molecular Biology · Materials Science · #Advanced Electron Microscopy Techniques and Applications #Enzyme Structure and Function #Protein Structure and Dynamics
- Experiment-guided AlphaFold3 resolves accurate protein ensembles
2025/10/11 by Advaith Maddipatla, Nadav Bojan Sellam, Meital Bojan +5 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · Materials Science · #Protein Structure and Dynamics #Machine Learning in Bioinformatics #Enzyme Structure and Function
- Structure-Based Experimental Datasets for Benchmarking Protein Simulation Force Fields [Article v1.0]
2025/10/10 by Chapin E. Cavender, David A. Case, Julian C.‐H. Chen +11 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Advanced Proteomics Techniques and Applications #Enzyme Structure and Function #Protein Structure and Dynamics
- Generalized design of sequence–ensemble–function relationships for intrinsically disordered proteins
2025/10/06 by Ryan Krueger, Ryan K. Krueger, Michael P. Brenner +1 · 1 voice · 3 citations
Biochemistry, Genetics and Molecular Biology · #RNA Research and Splicing #Protein Structure and Dynamics #Heat shock proteins research
- Laboratory Evolution Reveals Transcriptional Mechanisms Underlying Thermal Adaptation of <i>Escherichia coli</i>
2025/09/30 by Kevin Rychel, Ke Chen, Edward Catoiu +9 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · #Evolution and Genetic Dynamics #Protein Structure and Dynamics #RNA and protein synthesis mechanisms
more