:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Yang, Yu-Yuan, Pickersgill, Richard, Fornili, Arianna
Format:	Recurso digital
Language:
Published:	Zenodo 2026
Subjects:	Protein Conformation Molecular Dynamics Simulation Deep Learning
Online Access:	https://doi.org/10.5281/zenodo.19822671
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Phage lysis protein Lys acts as a wedge to block MurJ conformational changes.
by: Kohga, Hidetaka, et al.
Published: (2025)

The redox driven Na-pumping mechanism in Vibrio cholerae NADH-quinone oxidoreductase relies on dynamic conformational changes.
by: Ishikawa-Fukuda, Moe, et al.
Published: (2026)

Crystal structure and catalytic mechanism of PL35 family glycosaminoglycan lyases with an ultrabroad substrate spectrum.
by: Wei, Lin, et al.
Published: (2025)

Molecular simulation study of RNA/dopamine complex dynamics at varying concentrations.
by: Poghosyan, Armen H, et al.
Published: (2025)

Recognition Mechanism of RNA by TLR13: Structural Insights and Implications for Immune Activation.
by: Wang, Yibo, et al.
Published: (2025)

Structural insights into flexible pyruvate binding in an (S)-selective ω-transaminase.
by: Wu, Danni, et al.
Published: (2026)

Prediction of eukaryotic cellular complexity in Asgard archaea using structural modelling.
by: Köstlbacher, Stephan, et al.
Published: (2026)

Revolutionizing structural biology: AI-driven protein structure prediction from AlphaFold to next-generation innovations.
by: Thangamalai, Mowna Sundari, et al.
Published: (2025)

Structural basis of a microbial trimethylamine transporter.
by: Gao, Chao, et al.
Published: (2025)

Structural insights into the photochemistry of the LH1-RC complex from the marine purple phototrophic bacterium Rhodovulum sulfidophilum.
by: Yue, Xing-Yu, et al.
Published: (2026)

Annealing synchronizes the TOM complex with Tom7 in a new orientation.
by: Yang, Liuyan, et al.
Published: (2025)

Computational Analysis of Excavatolide B-Human STING Interactions Implicates a Cys148-Adjacent Corridor with Within-Cavity Sub-Pose Diversity.
by: Chang, Tien-Lin, et al.
Published: (2026)

Proteorhodopsin insights into the molecular mechanism of vectorial proton transport.
by: Bukhdruker, Sergey, et al.
Published: (2025)

Crystal structure of the 4-hydroxybutyryl-CoA synthetase (ADP-forming) from nitrosopumilus maritimus.
by: Johnson, Jerome, et al.
Published: (2024)

Structural insights into bacterial dimethylsulfoniopropionate import by BCCT-family transporters.
by: Zhang, Yu-Zhong, et al.
Published: (2026)

Structural analysis of the siderophore-interacting protein from Vibrio anguillarum and its implications in classification of Vibrio homologs.
by: Liu, Changshui, et al.
Published: (2024)

Binding Stability and Catalytic Mechanism of a Novel Chitin Deacetylase from and Preparation of Chitosan.
by: Liang, Bicheng, et al.
Published: (2025)

Crystal structure of a putative phosphate binding protein from Synechocystis sp. PCC 6803 reveals an evolutionary hotspot.
by: Wang, Chongyang, et al.
Published: (2025)

Identification of Compounds Inhibiting Thermolabile Hemolysin from in Shrimp.
by: Bari, Sayed Mashequl, et al.
Published: (2025)

Cryo-EM structure of the QseG-QseE complex reveals an accessory protein-driven two-component system activation mechanism.
by: Gong, Piqian, et al.
Published: (2025)

Predicting protein-protein interaction with interpretable bilinear attention network.
by: Han, Yong, et al.
Published: (2025)

Structure-Guided Subunit Interface Engineering to Improve the Catalytic Efficiency of Dimeric Enzymes of FAH Family.
by: Liang, Bo, et al.
Published: (2025)

Pan-cancer analysis of CDC7 in human tumors: Integrative multi-omics insights and discovery of novel marine-based inhibitors through machine learning and computational approaches.
by: Saif, Ahmed, et al.
Published: (2025)

Exploring Marine natural products as potential Quorum sensing inhibitors by targeting the PqsR in Pseudomonas aeruginosa: Virtual screening assisted structural dynamics study.
by: Jayaraman, Manikandan, et al.
Published: (2025)

Tyrosine-driven hierarchical self-assembly unlocks robust non-Dopa wet adsorption in marine adhesive protein.
by: Wang, Lulu, et al.
Published: (2026)

Structural insight into ligand interactions of thymidylate synthase from white spot syndrome virus.
by: Liu, Changshui, et al.
Published: (2025)

Conserved tripartite tail proteins mediate virophage-host interactions through lipopolysaccharide binding.
by: Chu, Ting, et al.
Published: (2025)

Identification of Marine Compounds Inhibiting NF-κBInducing Kinase Through Molecular Docking and Molecular Dynamics Simulations.
by: Yasir, Muhammad, et al.
Published: (2024)

V21 - Cosmic Meta-Lagrangian Field Theory: Universal Emergence Hierarchy and Hilbert's Sixth Problem Realization in RSI
by: Camaron, Foster
Published: (2025)

Computational insights into marine natural products as potential antidiabetic agents targeting the SIK2 protein kinase domain.
by: Heyram, K, et al.
Published: (2024)

Isolation and Computer-Based Structural Determination of Madangolide B.
by: Hagihara, Masahiro, et al.
Published: (2025)

Computational analysis of zoanthamine alkaloids from Zoanthus sp. as potential DKK1 and GSK-3β inhibitors for osteoporosis therapy via Wnt signaling.
by: Pham, Ngoc-Thac, et al.
Published: (2025)

Conserved nsp3 TM2–Y Region in Nidoviruses / MD results
by: Pustovalova, Yulia
Published: (2026)

Structural and functional insights into an archaeal dUTPase reveal a subdomain-mediated mechanism for substrate recognition and evolutionary adaptation.
by: Chen, Sheng-Chia, et al.
Published: (2026)

Significant improvement of the thermostability and catalytic efficiency of β-glucosidase Bgl59 via cysteine engineering and rational design.
by: Li, Lanlan, et al.
Published: (2026)

Network Pharmacology Analysis and Biological Validation Systemically Identified the Active Ingredients and Molecular Targets of Kudzu Root on Osteoporosis.
by: Liu, Zhi-Wen, et al.
Published: (2025)

ZBP1 senses spliceosome stress through Z-RNA:DNA hybrid recognition.
by: He, Jianfeng, et al.
Published: (2025)

Simulation data for "Optimal Rejection-Free Path Sampling". Trajectory files of the chignolin RFPS-AIMMD run "fps2"
by: Lazzeri, Gianmarco
Published: (2025)

Chermesins I-N: Bioactive spiromeroterpenoids from the marine-sourced fungus Penicillium chermesinum AS-400.
by: Liu, Yi-Wei, et al.
Published: (2025)

Hybrid Computational Framework Integrating Ensemble Learning, Molecular Docking, and Dynamics for Predicting Antimalarial Efficacy of Malaria Box Compounds.
by: Moreno, Martín, et al.
Published: (2026)