Xinyu Gu

6PUBLICATIONS
16CO-AUTHORS
Computational chemistryBiomolecular modelling and designInstruments and techniquesMedical infection agents (incl. prions)Formal methods for software
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Publications (6)

|Oct 22, 2026
Early-Enrichment Hit Discovery via Reversible-Work c(t) Estimation in Metadynamics (CTMD).

|Sep 04, 2025
Hierarchical AF2RAVE for Multiconformation Virtual Screening Targeting S100 Ca2+-Binding Proteins.

Xinyu Gu, Venkata Sai Sreyas Adury, Akashnathan Aranganathan

|Jul 07, 2025
af2rave: protein ensemble generation with physics-based sampling.

Da Teng, Vanessa J Meraz, Akashnathan Aranganathan

|Nov 19, 2021
Vectorial channeling as a mechanism for translational control by functional prions and condensates.

Xinyu Gu, Nicholas P Schafer, Peter G Wolynes

|Feb 12, 2021
OpenAWSEM with Open3SPN2: A fast, flexible, and accessible framework for large-scale coarse-grained biomolecular simulations.

Wei Lu, Carlos Bueno, Nicholas P Schafer

|Aug 28, 2020
Exploring the F-actin/CPEB3 interaction and its possible role in the molecular mechanism of long-term memory.

Xinyu Gu, Nicholas P Schafer, Qian Wang

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Frequent Collaborators

3 joint publications

Peter G Wolynes

3 joint publications

Pratyush Tiwary

2 joint publications

Venkata Sai Sreyas Adury

2 joint publications

Akashnathan Aranganathan