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Erik Thiede
Erik Thiede
Asst. Prof of Chemistry and Chemical Biology, Cornell University
在 cornell.edu 的電子郵件地址已通過驗證 - 首頁
標題
引用次數
引用次數
年份
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
772019
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
502016
Autobahn: Automorphism-based graph neural nets
E Thiede, W Zhou, R Kondor
Advances in Neural Information Processing Systems 34, 29922-29934, 2021
472021
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
352021
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
342020
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
312018
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
252020
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
202017
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
182015
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
142021
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
132023
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
82023
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
82021
Group-equivariant neural networks with fusion diagrams
Z Li, H Zheng, E Thiede, J Liu, R Kondor
arXiv preprint arXiv:2211.07482 88, 2022
32022
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
22023
Graph neural networks for biochemistry that incorporate substructure
EH Thiede, W Zhou, R Kondor
Biophysical Journal 121 (3), 531a, 2022
22022
Abstract 2100 UNCOVERING THE PROTEIN STRUCTURAL ENSEMBLE BY INTEGRATING MOLECULAR MODELING, ARTIFICIAL INTELLIGENCE, AND CRYO-EM
E Thiede, WS Tang, D Silva, J Moomaw, R Lederman, S Hanson, ...
Journal of Biological Chemistry 300 (3), 2024
2024
Uncovering the protein structural ensemble by integrating molecular modeling with cryo-EM
D Silva-Sánchez, J Moomaw, WS Tang, SM Hanson, R Lederman, ...
Biophysical Journal 123 (3), 183a-184a, 2024
2024
Protein dynamics underlying allosteric regulation
MA Astore, AS Pradhan, EH Thiede, SM Hanson
Current Opinion in Structural Biology 84, 102768, 2024
2024
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