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Table representation of search results timeline featuring number of search results per year.
Year | Number of Results |
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2012 | 1 |
2014 | 1 |
2018 | 1 |
2021 | 2 |
2022 | 1 |
2023 | 1 |
2024 | 0 |
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Page 1
Facilitating ab initio QM/MM free energy simulations by Gaussian process regression with derivative observations.
Phys Chem Chem Phys. 2022 Oct 27;24(41):25134-25143. doi: 10.1039/d2cp02820d.
Phys Chem Chem Phys. 2022.
PMID: 36222412
Free PMC article.
Doubly Polarized QM/MM with Machine Learning Chaperone Polarizability.
Kim B, Shao Y, Pu J.
Kim B, et al.
J Chem Theory Comput. 2021 Dec 14;17(12):7682-7695. doi: 10.1021/acs.jctc.1c00567. Epub 2021 Nov 1.
J Chem Theory Comput. 2021.
PMID: 34723536
Free PMC article.
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Bridging semiempirical and ab initio QM/MM potentials by Gaussian process regression and its sparse variants for free energy simulation.
Snyder R, Kim B, Pan X, Shao Y, Pu J.
Snyder R, et al. Among authors: kim b.
J Chem Phys. 2023 Aug 7;159(5):054107. doi: 10.1063/5.0156327.
J Chem Phys. 2023.
PMID: 37530109
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Reaction Path-Force Matching in Collective Variables: Determining Ab Initio QM/MM Free Energy Profiles by Fitting Mean Force.
Kim B, Snyder R, Nagaraju M, Zhou Y, Ojeda-May P, Keeton S, Hege M, Shao Y, Pu J.
Kim B, et al.
J Chem Theory Comput. 2021 Aug 10;17(8):4961-4980. doi: 10.1021/acs.jctc.1c00245. Epub 2021 Jul 20.
J Chem Theory Comput. 2021.
PMID: 34283604
Free PMC article.
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Perioperative complications after noncardiac surgery in patients with insertion of second-generation drug-eluting stents.
Lo N, Kotsia A, Christopoulos G, Roesle M, Rangan BV, Kim BJ, Webb A, Banerjee S, Brilakis ES.
Lo N, et al. Among authors: kim bj.
Am J Cardiol. 2014 Jul 15;114(2):230-5. doi: 10.1016/j.amjcard.2014.04.027. Epub 2014 May 2.
Am J Cardiol. 2014.
PMID: 24878120
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Mapping Free Energy Pathways for ATP Hydrolysis in the E. coli ABC Transporter HlyB by the String Method.
Zhou Y, Ojeda-May P, Nagaraju M, Kim B, Pu J.
Zhou Y, et al. Among authors: kim b.
Molecules. 2018 Oct 16;23(10):2652. doi: 10.3390/molecules23102652.
Molecules. 2018.
PMID: 30332773
Free PMC article.
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Assessment of pain and analgesic use in African American cancer patients: factors related to adherence to analgesics.
Rhee YO, Kim E, Kim B.
Rhee YO, et al. Among authors: kim b.
J Immigr Minor Health. 2012 Dec;14(6):1045-51. doi: 10.1007/s10903-012-9582-x.
J Immigr Minor Health. 2012.
PMID: 22367628
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