A Bayesian approach to extracting free-energy profiles from cryo-electron microscopy experiments
Giraldo-Barreto, Julian, Ortiz, Sebastian, Thiede, Erik H., Palacio-Rodriguez, Karen, Carpenter, Bob, Barnett, Alex H., Cossio, Pilar
Published in Scientific reports (01.07.2021)
Published in Scientific reports (01.07.2021)
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Journal Article
Molecular dynamics simulations of nucleotide release from the circadian clock protein KaiC reveal atomic-resolution functional insights
Hong, Lu, Vani, Bodhi P., Thiede, Erik H., Rust, Michael J., Dinner, Aaron R.
Published in Proceedings of the National Academy of Sciences - PNAS (04.12.2018)
Published in Proceedings of the National Academy of Sciences - PNAS (04.12.2018)
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Journal Article
A community-powered search of machine learning strategy space to find NMR property prediction models
Bratholm, Lars A, Gerrard, Will, Anderson, Brandon, Bai, Shaojie, Choi, Sunghwan, Dang, Lam, Hanchar, Pavel, Howard, Addison, Kim, Sanghoon, Kolter, Zico, Kondor, Risi, Kornbluth, Mordechai, Lee, Youhan, Lee, Youngsoo, Mailoa, Jonathan P, Nguyen, Thanh Tu, Popovic, Milos, Rakocevic, Goran, Reade, Walter, Song, Wonho, Stojanovic, Luka, Thiede, Erik H, Tijanic, Nebojsa, Torrubia, Andres, Willmott, Devin, Butts, Craig P, Glowacki, David R
Published in PloS one (20.07.2021)
Published in PloS one (20.07.2021)
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Journal Article
Galerkin approximation of dynamical quantities using trajectory data
Thiede, Erik H, Giannakis, Dimitrios, Dinner, Aaron R, Weare, Jonathan
Published in The Journal of chemical physics (28.06.2019)
Published in The Journal of chemical physics (28.06.2019)
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Journal Article
Protein dynamics underlying allosteric regulation
Astore, Miro A., Pradhan, Akshada S., Thiede, Erik H., Hanson, Sonya M.
Published in Current opinion in structural biology (01.02.2024)
Published in Current opinion in structural biology (01.02.2024)
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Journal Article
Understanding the sources of error in MBAR through asymptotic analysis
Li, Xiang Sherry, Van Koten, Brian, Dinner, Aaron R, Thiede, Erik H
Published in The Journal of chemical physics (07.06.2023)
Published in The Journal of chemical physics (07.06.2023)
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Journal Article
Eigenvector method for umbrella sampling enables error analysis
Thiede, Erik H, Van Koten, Brian, Weare, Jonathan, Dinner, Aaron R
Published in The Journal of chemical physics (28.08.2016)
Published in The Journal of chemical physics (28.08.2016)
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Journal Article
Ensemble Reweighting Using Cryo-EM Particle Images
Tang, Wai Shing, Silva-Sánchez, David, Giraldo-Barreto, Julian, Carpenter, Bob, Hanson, Sonya M., Barnett, Alex H., Thiede, Erik H., Cossio, Pilar
Published in The journal of physical chemistry. B (22.06.2023)
Published in The journal of physical chemistry. B (22.06.2023)
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Journal Article
Structural ensemble refinement with cryo-EM
Shing Tang, Wai, Silva, David, Giraldo Barreto, Julian, Thiede, Erik H., Hanson, Sonya M., Cossio, Pilar
Published in Biophysical journal (10.02.2023)
Published in Biophysical journal (10.02.2023)
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Journal Article
Molecular Dynamics Simulations of the Circadian Clock Protein Kaic Reveal Structural Insights into the Nucleotide Release and Circadian Timing Mechanisms
Hong, Lu, Vani, Bodhi P., Thiede, Erik H., Rust, Michael J., Dinner, Aaron R.
Published in Biophysical journal (15.02.2019)
Published in Biophysical journal (15.02.2019)
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Journal Article
Understanding the Sources of Error in MBAR through Asymptotic Analysis
Xiang Sherry Li, Brian Van Koten, Dinner, Aaron R, Thiede, Erik H
Published in arXiv.org (02.03.2022)
Published in arXiv.org (02.03.2022)
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Journal Article
Ensemble reweighting using Cryo-EM particles
Tang, Wai Shing, Silva-Sánchez, David, Giraldo-Barreto, Julian, Carpenter, Bob, Hanson, Sonya, Barnett, Alex H, Thiede, Erik H, Cossio, Pilar
Published in arXiv.org (10.12.2022)
Published in arXiv.org (10.12.2022)
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Journal Article
Galerkin Approximation of Dynamical Quantities using Trajectory Data
Thiede, Erik H, Giannakis, Dimitrios, Dinner, Aaron R, Weare, Jonathan
Published in arXiv.org (26.02.2019)
Published in arXiv.org (26.02.2019)
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Journal Article
Error bounds for dynamical spectral estimation
Webber, Robert J, Thiede, Erik H, Dow, Douglas, Dinner, Aaron R, Weare, Jonathan
Published in arXiv.org (25.09.2020)
Published in arXiv.org (25.09.2020)
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Journal Article
A Bayesian approach for extracting free energy profiles from cryo-electron microscopy experiments using a path collective variable
Giraldo-Barreto, Julian, Ortiz, Sebastian, Thiede, Erik H, Palacio-Rodriguez, Karen, Carpenter, Bob, Barnett, Alex H, Cossio, Pilar
Published in arXiv.org (03.02.2021)
Published in arXiv.org (03.02.2021)
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Journal Article
A community-powered search of machine learning strategy space to find NMR property prediction models
Bratholm, Lars A, Gerrard, Will, Anderson, Brandon, Bai, Shaojie, Choi, Sunghwan, Lam, Dang, Hanchar, Pavel, Addison, Howard, Huard, Guillaume, Kim, Sanghoon, Kolter, Zico, Kondor, Risi, Kornbluth, Mordechai, Lee, Youhan, Lee, Youngsoo, Mailoa, Jonathan P, Thanh Tu Nguyen, Popovic, Milos, Rakocevic, Goran, Reade, Walter, Song, Wonho, Stojanovic, Luka, Thiede, Erik H, Tijanic, Nebojsa, Torrubia, Andres, Willmott, Devin, Butts, Craig P, Glowacki, David R, participants, Kaggle
Published in arXiv.org (13.08.2020)
Published in arXiv.org (13.08.2020)
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