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Page 1
How Good is Jarzynski's Equality for Computer-Aided Drug Design?
J Phys Chem B. 2020 Jul 2;124(26):5338-5349. doi: 10.1021/acs.jpcb.0c02009. Epub 2020 Jun 22.
J Phys Chem B. 2020.
PMID: 32484689
Free PMC article.
Dependence of Work on the Pulling Speed in Mechanical Ligand Unbinding.
Pham HA, Truong DT, Li MS.
Pham HA, et al. Among authors: truong dt.
J Phys Chem B. 2021 Aug 5;125(30):8325-8330. doi: 10.1021/acs.jpcb.1c01818. Epub 2021 Jul 22.
J Phys Chem B. 2021.
PMID: 34292743
Free PMC article.
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Novel design of amine and metal hydroxide functional group modified onto sludge biochar for arsenic removal.
Chen CK, Nguyen NT, Le TT, Duong CC, Nguyen CN, Truong DT, Liao CH.
Chen CK, et al. Among authors: truong dt.
Water Sci Technol. 2022 Mar;85(5):1384-1399. doi: 10.2166/wst.2022.047.
Water Sci Technol. 2022.
PMID: 35290219
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Probing the Binding Affinity by Jarzynski's Nonequilibrium Binding Free Energy and Rupture Time.
Truong DT, Li MS.
Truong DT, et al.
J Phys Chem B. 2018 May 3;122(17):4693-4699. doi: 10.1021/acs.jpcb.8b02137. Epub 2018 Apr 20.
J Phys Chem B. 2018.
PMID: 29630379
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Remdesivir Strongly Binds to Both RNA-Dependent RNA Polymerase and Main Protease of SARS-CoV-2: Evidence from Molecular Simulations.
Nguyen HL, Thai NQ, Truong DT, Li MS.
Nguyen HL, et al. Among authors: truong dt.
J Phys Chem B. 2020 Dec 17;124(50):11337-11348. doi: 10.1021/acs.jpcb.0c07312. Epub 2020 Dec 2.
J Phys Chem B. 2020.
PMID: 33264025
Free PMC article.
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EGCG inhibits the oligomerization of amyloid beta (16-22) hexamer: Theoretical studies.
Ngo ST, Truong DT, Tam NM, Nguyen MT.
Ngo ST, et al. Among authors: truong dt.
J Mol Graph Model. 2017 Sep;76:1-10. doi: 10.1016/j.jmgm.2017.06.018. Epub 2017 Jun 21.
J Mol Graph Model. 2017.
PMID: 28658644
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Replica exchange molecular dynamics study of the truncated amyloid beta (11-40) trimer in solution.
Ngo ST, Hung HM, Truong DT, Nguyen MT.
Ngo ST, et al. Among authors: truong dt.
Phys Chem Chem Phys. 2017 Jan 18;19(3):1909-1919. doi: 10.1039/c6cp05511g.
Phys Chem Chem Phys. 2017.
PMID: 28004051
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