Siqin Cao

9PUBLICATIONS
15CO-AUTHORS
Data structures and algorithmsComputational chemistryDynamics, vibration and vibration controlStructure and dynamics of materialsMathematical aspects of general relativity
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Publications (9)

|Aug 11, 2026
A continuous-space analytical framework for committor functions from molecular dynamics.

|Nov 04, 2025
A Python tutorial for 3DRISM solvation calculations of chemical and biological molecules.

Peter C Swanson, Siqin Cao, Xuhui Huang

|Apr 21, 2025
AMUSET-TICA: A Tensor-Based Approach for Identifying Slow Collective Variables in Biomolecular Dynamics.

Siqin Cao, Feliks Nüske, Bojun Liu

|Mar 22, 2024
Tutorial on how to build non-Markovian dynamic models from molecular dynamics simulations for studying protein conformational changes.

Yue Wu, Siqin Cao, Yunrui Qiu

|Feb 28, 2024
Submillisecond Atomistic Molecular Dynamics Simulations Reveal Hydrogen Bond-Driven Diffusion of a Guest Peptide in Protein-RNA Condensate.

Ilona C Unarta, Siqin Cao, Eshani C Goonetilleke

|Oct 03, 2023
Integrative generalized master equation: A method to study long-timescale biomolecular dynamics via the integrals of memory kernels.

Siqin Cao, Yunrui Qiu, Michael L Kalin

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Frequent Collaborators

9 joint publications

Xuhui Huang

2 joint publications

Yunrui Qiu

1 joint publications

Peter Pak-Hang Cheung

1 joint publications

Xiaoyan Zheng