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Year Number of Results
2016 2
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Markov State Models: From an Art to a Science.
Husic BE, Pande VS. Husic BE, et al. J Am Chem Soc. 2018 Feb 21;140(7):2386-2396. doi: 10.1021/jacs.7b12191. Epub 2018 Feb 2. J Am Chem Soc. 2018. PMID: 29323881 Review.
Machine learning coarse-grained potentials of protein thermodynamics.
Majewski M, Pérez A, Thölke P, Doerr S, Charron NE, Giorgino T, Husic BE, Clementi C, Noé F, De Fabritiis G. Majewski M, et al. Among authors: husic be. Nat Commun. 2023 Sep 15;14(1):5739. doi: 10.1038/s41467-023-41343-1. Nat Commun. 2023. PMID: 37714883 Free PMC article.
PotentialNet for Molecular Property Prediction.
Feinberg EN, Sur D, Wu Z, Husic BE, Mai H, Li Y, Sun S, Yang J, Ramsundar B, Pande VS. Feinberg EN, et al. Among authors: husic be. ACS Cent Sci. 2018 Nov 28;4(11):1520-1530. doi: 10.1021/acscentsci.8b00507. Epub 2018 Nov 2. ACS Cent Sci. 2018. PMID: 30555904 Free PMC article.
Unsupervised Learning Methods for Molecular Simulation Data.
Glielmo A, Husic BE, Rodriguez A, Clementi C, Noé F, Laio A. Glielmo A, et al. Among authors: husic be. Chem Rev. 2021 Aug 25;121(16):9722-9758. doi: 10.1021/acs.chemrev.0c01195. Epub 2021 May 4. Chem Rev. 2021. PMID: 33945269 Free PMC article.
MSMBuilder: Statistical Models for Biomolecular Dynamics.
Harrigan MP, Sultan MM, Hernández CX, Husic BE, Eastman P, Schwantes CR, Beauchamp KA, McGibbon RT, Pande VS. Harrigan MP, et al. Among authors: husic be. Biophys J. 2017 Jan 10;112(1):10-15. doi: 10.1016/j.bpj.2016.10.042. Biophys J. 2017. PMID: 28076801 Free PMC article.
Variational encoding of complex dynamics.
Hernández CX, Wayment-Steele HK, Sultan MM, Husic BE, Pande VS. Hernández CX, et al. Among authors: husic be. Phys Rev E. 2018 Jun;97(6-1):062412. doi: 10.1103/PhysRevE.97.062412. Phys Rev E. 2018. PMID: 30011547 Free PMC article.
Coarse graining molecular dynamics with graph neural networks.
Husic BE, Charron NE, Lemm D, Wang J, Pérez A, Majewski M, Krämer A, Chen Y, Olsson S, de Fabritiis G, Noé F, Clementi C. Husic BE, et al. J Chem Phys. 2020 Nov 21;153(19):194101. doi: 10.1063/5.0026133. J Chem Phys. 2020. PMID: 33218238 Free PMC article.
Modeling the mechanism of CLN025 beta-hairpin formation.
McKiernan KA, Husic BE, Pande VS. McKiernan KA, et al. Among authors: husic be. J Chem Phys. 2017 Sep 14;147(10):104107. doi: 10.1063/1.4993207. J Chem Phys. 2017. PMID: 28915754 Free PMC article.
Variational selection of features for molecular kinetics.
Scherer MK, Husic BE, Hoffmann M, Paul F, Wu H, Noé F. Scherer MK, et al. Among authors: husic be. J Chem Phys. 2019 May 21;150(19):194108. doi: 10.1063/1.5083040. J Chem Phys. 2019. PMID: 31117766
18 results