Nam K - Search Results

1

Demonstration of Selective Single-Barium Ion Detection with Dry Diazacrown Ether Naphthalimide Turn-on Chemosensors.

Thapa P, Byrnes NK, Denisenko AA, Mao JX, McDonald AD, Newhouse CA, Vuong TT, Woodruff K, Nam K, Nygren DR, Jones BJP, Foss FW Jr. Thapa P, et al. Among authors: nam k. ACS Sens. 2021 Jan 22;6(1):192-202. doi: 10.1021/acssensors.0c02104. Epub 2021 Jan 5. ACS Sens. 2021. PMID: 33400506

2

Asymmetric Synthesis of Remote Quaternary Centers by Copper-Catalyzed Desymmetrization: An Enantioselective Total Synthesis of (+)-Mesembrine.

Bokka A, Mao JX, Hartung J, Martinez SR, Simanis JA, Nam K, Jeon J, Shen X. Bokka A, et al. Among authors: nam k. Org Lett. 2018 Sep 7;20(17):5158-5162. doi: 10.1021/acs.orglett.8b02084. Epub 2018 Aug 24. Org Lett. 2018. PMID: 30141634

3

Copper(I) and silver(I) chemistry of vinyltrifluoroborate supported by a bis(pyrazolyl)methane ligand.

Zacharias AO, Mao JX, Nam K, Dias HVR. Zacharias AO, et al. Among authors: nam k. Dalton Trans. 2021 Jun 8;50(22):7621-7632. doi: 10.1039/d1dt00974e. Dalton Trans. 2021. PMID: 33999090

4

Perspectives on Computational Enzyme Modeling: From Mechanisms to Design and Drug Development.

Nam K, Shao Y, Major DT, Wolf-Watz M. Nam K, et al. ACS Omega. 2024 Feb 8;9(7):7393-7412. doi: 10.1021/acsomega.3c09084. eCollection 2024 Feb 20. ACS Omega. 2024. PMID: 38405524 Free PMC article. Review.

5

Rapid Convergence of Energy and Free Energy Profiles with Quantum Mechanical Size in Quantum Mechanical-Molecular Mechanical Simulations of Proton Transfer in DNA.

Das S, Nam K, Major DT. Das S, et al. Among authors: nam k. J Chem Theory Comput. 2018 Mar 13;14(3):1695-1705. doi: 10.1021/acs.jctc.7b00964. Epub 2018 Mar 1. J Chem Theory Comput. 2018. PMID: 29446946

6

A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations.

Pan X, Nam K, Epifanovsky E, Simmonett AC, Rosta E, Shao Y. Pan X, et al. Among authors: nam k. J Chem Phys. 2021 Jan 14;154(2):024115. doi: 10.1063/5.0038120. J Chem Phys. 2021. PMID: 33445891 Free PMC article.

7

Elucidating Dynamics of Adenylate Kinase from Enzyme Opening to Ligand Release.

Nam K, Arattu Thodika AR, Grundström C, Sauer UH, Wolf-Watz M. Nam K, et al. J Chem Inf Model. 2024 Jan 8;64(1):150-163. doi: 10.1021/acs.jcim.3c01618. Epub 2023 Dec 20. J Chem Inf Model. 2024. PMID: 38117131

8

Catalytic hydrogen atom transfer from hydrosilanes to vinylarenes for hydrosilylation and polymerization.

Asgari P, Hua Y, Bokka A, Thiamsiri C, Prasitwatcharakorn W, Karedath A, Chen X, Sardar S, Yum K, Leem G, Pierce BS, Nam K, Gao J, Jeon J. Asgari P, et al. Among authors: nam k. Nat Catal. 2019 Feb;2:164-173. doi: 10.1038/s41929-018-0217-z. Epub 2019 Jan 28. Nat Catal. 2019. PMID: 31460492 Free PMC article.

9

Acceleration of Semiempirical QM/MM Methods through Message Passage Interface (MPI), Hybrid MPI/Open Multiprocessing, and Self-Consistent Field Accelerator Implementations.

Ojeda-May P, Nam K. Ojeda-May P, et al. Among authors: nam k. J Chem Theory Comput. 2017 Aug 8;13(8):3525-3536. doi: 10.1021/acs.jctc.7b00322. Epub 2017 Jul 6. J Chem Theory Comput. 2017. PMID: 28628742

10

Repulsive Soft-Core Potentials for Efficient Alchemical Free Energy Calculations.

Li Y, Nam K. Li Y, et al. Among authors: nam k. J Chem Theory Comput. 2020 Aug 11;16(8):4776-4789. doi: 10.1021/acs.jctc.0c00163. Epub 2020 Jul 6. J Chem Theory Comput. 2020. PMID: 32559374 Free PMC article.

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