Latest Research in Metalloprotein Structure Engineering

26 research papers · 2026 median publication year

Top Research Topics in Metalloprotein Structure Engineering

Highest-Cited Papers

  1. Integrating NMR and contact-response analysis reveals the allosteric network driving domain closure in Enzyme I
  2. Structural and functional insights into a Zn2+-transporting P-type ATPase
  3. Best practices for cryo‐trapping time‐resolved crystallography with the Spitrobot crystal plunger
  4. Mechanistic Dissection of Conformational Transitions in a Bicyclic Peptide via Molecular Modeling and Deep Learning
  5. DeepEffector: A Protein Language Model-Driven Deep Learning Framework for Effector Prediction in Fungi and Oomycetes
  6. A curated structural dataset of peptide–protein complexes reveals biases in existing datasets and principles of peptide binding
  7. METALICA: METAdynamics and repLICA exchange for enhanced diffusion sampling
  8. Conformation- and Compound-Dependence of Ribose/2′-Deoxyribose Retention Patterns in Pyrimidine-Nucleoside Phosphorylase from Bacillus subtilis : A Four-Structure Molecular Dynamics Study
  9. Bridging Visual Intuition and Chemical Expertise: A Virtual Collaborative Framework for Autonomous Nonadiabatic Dynamics Analysis
  10. Unveiling Novel Metalloprotease Inhibitors Targeting Botulinum Neurotoxin Through Structure-Based Virtual Screening of Drug Libraries and Molecular Dynamics Simulations
  11. MutexaGPT: an intuition-to-design translator for physics-based enzyme engineering
  12. Structural basis of condensate formation of VAPB protein
  13. Closed-Loop Multi-Objective Optimization for Receptor-Selective Cell-Penetrating Peptide Design
  14. In Situ Multiscale Imaging Reveals Cellular Selection and Remodeling of Peptide Assemblies from Membrane Perturbation to Actin Dysregulation
  15. Capturing Fast Gas Migration in Proteins
  16. DIME: Dynamics Inferred from Monte Carlo Ensembles via Continuous-Time Markov Chains
  17. A pH‐Responsive fluorescence lifetime probe reveals GOT1 phase separation in cellular anti‐senescence
  18. A Fast and Parallelized Procedure for Checking Molecular Dynamics 3D Structure
  19. Lipidomic Profile Reconstruction of Therapeutic Membrane Targets Using Physics‐Based Optimization with Limited Activity Data
  20. Streaming Molecular Dynamics Simulation Data for On-the-Fly Processing and Analysis

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L2 Region - - 2026 Sep Q3

Metalloprotein Structure Engineering

26 papers

Top Topics (10)

Protein Structure and Dynamics5
Enzyme Structure and Function2
Machine Learning in Materials Science2
Nanopore and Nanochannel Transport Studies2
Trace Elements in Health1
Plant-Microbe Interactions and Immunity1
Advanced Proteomics Techniques and Applications1
Machine Learning1
Biochemical and Molecular Research1
Botulinum Toxin and Related Neurological Disorders1

Top Publications (20)

1.Integrating NMR and contact-response analysis reveals the allosteric network driving domain closure in Enzyme I2.Structural and functional insights into a Zn2+-transporting P-type ATPase3.Best practices for cryo‐trapping time‐resolved crystallography with the Spitrobot crystal plunger4.Mechanistic Dissection of Conformational Transitions in a Bicyclic Peptide via Molecular Modeling and Deep Learning5.DeepEffector: A Protein Language Model-Driven Deep Learning Framework for Effector Prediction in Fungi and Oomycetes6.A curated structural dataset of peptide–protein complexes reveals biases in existing datasets and principles of peptide binding7.METALICA: METAdynamics and repLICA exchange for enhanced diffusion sampling8.Conformation- and Compound-Dependence of Ribose/2′-Deoxyribose Retention Patterns in Pyrimidine-Nucleoside Phosphorylase from Bacillus subtilis : A Four-Structure Molecular Dynamics Study9.Bridging Visual Intuition and Chemical Expertise: A Virtual Collaborative Framework for Autonomous Nonadiabatic Dynamics Analysis10.Unveiling Novel Metalloprotease Inhibitors Targeting Botulinum Neurotoxin Through Structure-Based Virtual Screening of Drug Libraries and Molecular Dynamics Simulations11.MutexaGPT: an intuition-to-design translator for physics-based enzyme engineering12.Structural basis of condensate formation of VAPB protein13.Closed-Loop Multi-Objective Optimization for Receptor-Selective Cell-Penetrating Peptide Design14.In Situ Multiscale Imaging Reveals Cellular Selection and Remodeling of Peptide Assemblies from Membrane Perturbation to Actin Dysregulation15.Capturing Fast Gas Migration in Proteins16.DIME: Dynamics Inferred from Monte Carlo Ensembles via Continuous-Time Markov Chains17.A pH‐Responsive fluorescence lifetime probe reveals GOT1 phase separation in cellular anti‐senescence18.A Fast and Parallelized Procedure for Checking Molecular Dynamics 3D Structure19.Lipidomic Profile Reconstruction of Therapeutic Membrane Targets Using Physics‐Based Optimization with Limited Activity Data20.Streaming Molecular Dynamics Simulation Data for On-the-Fly Processing and Analysis

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