Zobrazeno 1 - 10 of 3 764 pro vyhledávání: '"Li L. Duan"'
1
Akademický článek
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2
Comment on 'Colloidal stability of reduced graphene oxide materials prepared using different reducing agents' by Y. Qi, T. Xia, Y. Li, L. Duan and W. Chen, Environ. Sci.: Nano, 2016, 3, 1062
Autor: Mohsen Moazzami Gudarzi
Publikováno v: Environmental Science: Nano. 4:2418-2420
The colloidal stability of graphene oxide (GO) and its reduced forms can be described using classical DLVO theory. This contradicts the claims by Qi et al. (Environ. Sci.: Nano, 2016, 3, 1062–1071). Lower colloidal stability of reduced GO is caused
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::166238d4388e222202f30a1dbd79784e
https://doi.org/10.1039/c6en00424e
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3
Akademický článek
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4
Effect of polarization on HIV-1protease and fluoro-substituted inhibitors binding energies by large scale molecular dynamics simulations
Autor: Qing G. Zhang, Li L. Duan, John Z. H. Zhang, Yu C Li, Tong Zhu
Publikováno v: Scientific Reports
Molecular dynamics simulations in explicit water are carried out to study the binding of six inhibitors to HIV-1 protease (PR) for up to 700 ns using the standard AMBER force field and polarized protein-specific charge (PPC). PPC is derived from quan
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ce9fe43a03eeb572b1feb7be961555ec
https://doi.org/10.1038/srep42223
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5
Energetics of protein backbone hydrogen bonds and their local electrostatic environment
Autor: Bo Tang, Chang G. Ji, Ya Gao, Ye Mei, Qing G. Zhang, John Z. H. Zhang, Li L. Duan
Publikováno v: Science China Chemistry. 57:1708-1715
MD simulation study of several peptides including a polyalanine, a helix (pdb:2I9M), and a leucine zipper were carried out to investigate hydrogen bond energetics using dynamic polarized protein-specific charge (DPPC) to account for the polarization
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ee805e798a10ed424995d3024c57072d
https://doi.org/10.1007/s11426-014-5246-0
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6
An implementation of hydrophobic force in implicit solvent molecular dynamics simulation for packed proteins
Autor: Li L. Duan, Qing G. Zhang, John Z. H. Zhang, Tong Zhu, Bo Tang, Ye Mei
Publikováno v: Journal of Molecular Modeling. 19:2605-2612
MD simulations of five proteins in which helical chains are held together by hydrophobic packing were carried out to investigate the effect of hydrophobic force on simulated structures of these protein complexes in implicit generalized Born (GB) mode
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c4f587820fd0a6bb5e818fe9252c39ef
https://doi.org/10.1007/s00894-013-1798-8
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7
Large-scale molecular dynamics simulation: Effect of polarization on thrombin-ligand binding energy
Autor: Guo Q. Feng, Li L. Duan, Qing G. Zhang
Publikováno v: Scientific Reports
Molecular dynamics (MD) simulations lasting 500 ns were performed in explicit water to investigate the effect of polarization on the binding of ligands to human α-thrombin based on the standard nonpolarizable AMBER force field and the quantum-derive
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12055b91d734279280398bdff05f9f82
https://doi.org/10.1038/srep31488
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8
Folding of a Helix at Room Temperature Is Critically Aided by Electrostatic Polarization of Intraprotein Hydrogen Bonds
Autor: Li L. Duan, Dawei Zhang, Qing G. Zhang, John Z. H. Zhang, Ye Mei
Publikováno v: Journal of the American Chemical Society. 132:11159-11164
We report direct folding of a 17-residue helix protein (pdb:2I9M) by standard molecular dynamics simulation (single trajectory) at room temperature with implicit solvent. Starting from a fully extended structure, 2I9M successfully folds into the nati
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2a76b56dbcc0cd22a508884fdce00db
https://doi.org/10.1021/ja102735g
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9
QUANTUM CALCULATION OF PROTEIN SOLVATION AND PROTEIN–LIGAND BINDING FREE ENERGY FOR HIV-1 PROTEASE/WATER COMPLEX
Autor: Li L. Duan, John Z. H. Zhang, Yan Tong, Ye Mei, Qing Gang Zhang
Publikováno v: Journal of Theoretical and Computational Chemistry. :1265-1279
HIV-1 protease (PR) is a primary target for anti-HIV therapeutics. A well conserved water molecule, denoted as W301, is found in almost all the crystallographic structures of PR/inhibitor complexes and it plays an important role in PR/inhibitor bindi
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::10d9a5d176a42d667fb296b894929540
https://doi.org/10.1142/s0219633609005313
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10
Akademický článek
Exogenous salicylic acid reduces cadmium content in spinach (Spinacia oleracea L.) shoots under cadmium stress.
Autor: Tang, Wen1 (AUTHOR), Liang, Le1 (AUTHOR), Yang, Haixing1 (AUTHOR), Yu, Xuena1 (AUTHOR), Ye, Xudong1 (AUTHOR), Xie, Yongdong2 (AUTHOR), Li, Rulong3 (AUTHOR), Lin, Lijin1 (AUTHOR), Huang, Zhi1 (AUTHOR), Sun, Bo1 (AUTHOR), Sun, Guochao1 (AUTHOR), Liu, Li4 (AUTHOR), Li, Huanxiu1 (AUTHOR) huanxiuli62@163.com, Tang, Yi1 (AUTHOR) tangyi@sicau.edu.cn
Publikováno v: BMC Plant Biology. 12/21/2024, Vol. 24 Issue 1, p1-14. 14p.
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