Следене
Erik Thiede
Erik Thiede
Asst. Prof of Chemistry and Chemical Biology, Cornell University
Потвърден имейл адрес: cornell.edu - Начална страница
Заглавие
Позовавания
Позовавания
Година
Galerkin approximation of dynamical quantities using trajectory data
EH Thiede, D Giannakis, AR Dinner, J Weare
The Journal of Chemical Physics 150 (24), 244111, 2019
922019
Autobahn: Automorphism-based graph neural nets
E Thiede, W Zhou, R Kondor
Advances in Neural Information Processing Systems 34, 29922-29934, 2021
562021
A Bayesian approach to extracting free-energy profiles from cryo-electron microscopy experiments
J Giraldo-Barreto, S Ortiz, EH Thiede, K Palacio-Rodriguez, B Carpenter, ...
arXiv preprint arXiv:2102.02077, 2021
522021
Eigenvector method for umbrella sampling enables error analysis
EH Thiede, B Van Koten, J Weare, AR Dinner
The Journal of Chemical Physics 145 (8), 084115, 2016
512016
Conformational heterogeneity and probability distributions from single-particle cryo-electron microscopy
WS Tang, ED Zhong, SM Hanson, EH Thiede, P Cossio
Current Opinion in Structural Biology 81, 102626, 2023
392023
Insulin dissociates by diverse mechanisms of coupled unfolding and unbinding
A Antoszewski, CJ Feng, BP Vani, EH Thiede, L Hong, J Weare, ...
The journal of physical chemistry B 124 (27), 5571-5587, 2020
392020
The general theory of permutation equivarant neural networks and higher order graph variational encoders
EH Thiede, TS Hy, R Kondor
arXiv preprint arXiv:2004.03990, 2020
352020
Molecular dynamics simulations of nucleotide release from the circadian clock protein KaiC reveal atomic-resolution functional insights
L Hong, BP Vani, EH Thiede, MJ Rust, AR Dinner
Proceedings of the National Academy of Sciences 115 (49), E11475-E11484, 2018
342018
Ensemble reweighting using cryo-EM particle images
WS Tang, D Silva-Sánchez, J Giraldo-Barreto, B Carpenter, SM Hanson, ...
The Journal of Physical Chemistry B 127 (24), 5410-5421, 2023
332023
Integrated variational approach to conformational dynamics: A robust strategy for identifying eigenfunctions of dynamical operators
C Lorpaiboon, EH Thiede, RJ Webber, J Weare, AR Dinner
The Journal of Physical Chemistry B 124 (42), 9354-9364, 2020
242020
Stratification as a general variance reduction method for Markov chain Monte Carlo
AR Dinner, EH Thiede, B Van Koten, J Weare
arXiv preprint arXiv:1705.08445, 2017
232017
Sharp entrywise perturbation bounds for Markov chains
E Thiede, B Van Koten, J Weare
SIAM Journal on Matrix Analysis and Applications 36 (3), 917-941, 2015
192015
A community-powered search of machine learning strategy space to find NMR property prediction models
LA Bratholm, W Gerrard, B Anderson, S Bai, S Choi, L Dang, P Hanchar, ...
Plos one 16 (7), e0253612, 2021
172021
Protein dynamics underlying allosteric regulation
MA Astore, AS Pradhan, EH Thiede, SM Hanson
Current Opinion in Structural Biology 84, 102768, 2024
162024
Error bounds for dynamical spectral estimation
RJ Webber, EH Thiede, D Dow, AR Dinner, J Weare
SIAM journal on mathematics of data science 3 (1), 225-252, 2021
102021
Group-equivariant neural networks with fusion diagrams
Z Li, H Zheng, E Thiede, J Liu, R Kondor
arXiv preprint arXiv:2211.07482 92, 2022
42022
Understanding the sources of error in MBAR through asymptotic analysis
XS Li, B Van Koten, AR Dinner, EH Thiede
The Journal of Chemical Physics 158 (21), 2023
32023
Graph neural networks for biochemistry that incorporate substructure
EH Thiede, W Zhou, R Kondor
Biophysical Journal 121 (3), 531a, 2022
32022
Unifying O (3) equivariant neural networks design with tensor-network formalism
Z Li, Z Pengmei, H Zheng, E Thiede, J Liu, R Kondor
Machine Learning: Science and Technology 5 (2), 025044, 2024
22024
BPS2025-Learning the conformational ensemble from cryo-EM
J Xiang, J Moomaw, D Sanchez, J Rhodes, EH Thiede
Biophysical Journal 124 (3), 310a, 2025
2025
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