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2020 – today
- 2024
[j1]Michael J. Bakker, Amina Gaffour, Martin Juhás, Vojtech Zapletal, Jakub Stosek, Lars A. Bratholm, Jana Pavlíková Precechtelová:
Streamlining NMR Chemical Shift Predictions for Intrinsically Disordered Proteins: Design of Ensembles with Dimensionality Reduction and Clustering. J. Chem. Inf. Model. 64(16): 6542-6556 (2024)- 2020
- [i3]Lars A. Bratholm, Will Gerrard, Brandon M. Anderson, Shaojie Bai, Sunghwan Choi, Lam Dang, Pavel Hanchar, Addison Howard, Guillaume Huard, Sanghoon Kim, J. Zico Kolter, Risi Kondor, Mordechai Kornbluth, Youhan Lee, Youngsoo Lee, Jonathan P. Mailoa, Thanh Tu Nguyen, Milos Popovic, Goran Rakocevic, Walter Reade, Wonho Song, Luka Stojanovic, Erik H. Thiede, Nebojsa Tijanic, Andres Torrubia, Devin Willmott, Craig P. Butts, David R. Glowacki, Kaggle participants:
A community-powered search of machine learning strategy space to find NMR property prediction models. CoRR abs/2008.05994 (2020)
2010 – 2019
- 2019
- [i2]Silvia Amabilino, Lars A. Bratholm, Simon J. Bennie, Alain C. Vaucher, Markus Reiher, David R. Glowacki:
Training neural nets to learn reactive potential energy surfaces using interactive quantum chemistry in virtual reality. CoRR abs/1901.05417 (2019) - 2018
- [i1]Robert E. Arbon, Alex J. Jones, Lars A. Bratholm, Tom Mitchell, David R. Glowacki:
Sonifying stochastic walks on biomolecular energy landscapes. CoRR abs/1803.05805 (2018)
Coauthor Index
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