G.T. Montelione

Career Trajectory

Research Cluster Map

Direct collaborators. Node size = influence, colour = community, dashed = past collaboration.

• Decoding Enzyme–Inhibitor Kinetic Mechanisms by Isothermal Titration Calorimetry: The Case of SARS-CoV-2 3CL ^pro

  Analytical Chemistry · 2026-06-23

• Assessing Metal Ion Assignment Accuracy in Protein Data Bank Models via Elemental Spectroscopy

  Journal of Chemical Information and Modeling · 2026-06-15

• CSPdb from "Allosteric Protein Chemical Shift Perturbations are Ubiquitous"

  Zenodo (CERN European Organization for Nuclear Research) · 2026-05-28

• Allosteric Protein Chemical Shift Perturbations are Ubiquitous

  bioRxiv (Cold Spring Harbor Laboratory) · 2026-05-08

• CSPdb from "Allosteric Protein Chemical Shift Perturbations are Ubiquitous"

  Zenodo (CERN European Organization for Nuclear Research) · 2026-04-27

• Hidden structural states of proteins revealed by conformer selection

  Nature Communications · 2026-04-27

• The NMR Exchange Format (NEF): Specification and Applications

  bioRxiv (Cold Spring Harbor Laboratory) · 2026-04-24

• CSPdb from "Allosteric Protein Chemical Shift Perturbations are Ubiquitous"

  Zenodo (CERN European Organization for Nuclear Research) · 2026-03-30

• This repository contains molecular dynamics simulation setup files and analysis scripts used in the study "Hidden Structural States of Proteins Revealed by Conformer Selection" by Huang, Ramelot, Spaman, Kobayashi, and Montelione.

  Zenodo (CERN European Organization for Nuclear Research) · 2026-03-13

• This repository contains molecular dynamics simulation setup files and analysis scripts used in the study "Hidden Structural States of Proteins Revealed by Conformer Selection" by Huang, Ramelot, Spaman, Kobayashi, and Montelione.

  Zenodo (CERN European Organization for Nuclear Research) · 2026-03-13

• BPS2026 – Exploring paralog-specific recognition in BET-ET domains through molecular simulations

  Biophysical Journal · 2026-02-01

• Correction: Hybrid AI/physics pipeline for miniprotein binder prioritization: application to the BRD3 ET domain

  Chemical Communications · 2026-01-01

• Loop Plasticity Drives Paralog-Specific Recognition in BET ET Domains

  Journal of Chemical Information and Modeling · 2025-11-12

• Modeling Alternative Conformational States in <scp>CASP16</scp>

  Proteins Structure Function and Bioinformatics · 2025-10-28 · 2 citations

• Memorization bias impacts modeling of alternative conformational states of solute carrier membrane proteins with methods from deep learning

  PLoS Computational Biology · 2025-10-17 · 2 citations

• Predicting Pose Distribution of Protein Domains Connected by Flexible Linkers Is an Unsolved Problem

  Proteins Structure Function and Bioinformatics · 2025-10-16 · 6 citations

• Review for "Blind Prediction of Complex Water and Ion Ensembles Around &lt;scp&gt;RNA&lt;/scp&gt; in &lt;scp&gt;CASP16&lt;/scp&gt;"

  2025-10-08

• Review for "Blind Prediction of Complex Water and Ion Ensembles Around &lt;scp&gt;RNA&lt;/scp&gt; in &lt;scp&gt;CASP16&lt;/scp&gt;"

  2025-09-23

• Modeling Alternative Conformational States in CASP16

  2025-09-04 · 3 citations

• Modeling Alternative Conformational States in CASP16Preprint

  bioRxiv (Cold Spring Harbor Laboratory) · 2025-09-02 · 2 citations