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For: Yan F, Liu X, Zhang S, Su J, Zhang Q, Chen J. Molecular Dynamics Exploration of Selectivity of Dual Inhibitors 5M7, 65X, and 65Z toward Fatty Acid Binding Proteins 4 and 5. Int J Mol Sci 2018;19:E2496. [PMID: 30142969 DOI: 10.3390/ijms19092496] [Cited by in Crossref: 22] [Cited by in F6Publishing: 19] [Article Influence: 5.5] [Reference Citation Analysis]
Number Citing Articles
1 Liang SS, Liu XG, Cui YX, Zhang SL, Zhang QG, Chen JZ. Molecular mechanism concerning conformational changes of CDK2 mediated by binding of inhibitors using molecular dynamics simulations and principal component analysis. SAR QSAR Environ Res 2021;:1-22. [PMID: 34130570 DOI: 10.1080/1062936X.2021.1934896] [Cited by in Crossref: 1] [Article Influence: 1.0] [Reference Citation Analysis]
2 Kimber-Trojnar Ż, Patro-Małysza J, Trojnar M, Skórzyńska-Dziduszko KE, Bartosiewicz J, Oleszczuk J, Leszczyńska-Gorzelak B. Fatty Acid-Binding Protein 4-An "Inauspicious" Adipokine-In Serum and Urine of Post-Partum Women with Excessive Gestational Weight Gain and Gestational Diabetes Mellitus. J Clin Med 2018;7:E505. [PMID: 30513800 DOI: 10.3390/jcm7120505] [Cited by in Crossref: 7] [Cited by in F6Publishing: 6] [Article Influence: 1.8] [Reference Citation Analysis]
3 Chen J, Liu X, Zhang S, Chen J, Sun H, Zhang L, Zhang Q. Molecular mechanism with regard to the binding selectivity of inhibitors toward FABP5 and FABP7 explored by multiple short molecular dynamics simulations and free energy analyses. Phys Chem Chem Phys 2020;22:2262-75. [DOI: 10.1039/c9cp05704h] [Cited by in Crossref: 27] [Cited by in F6Publishing: 2] [Article Influence: 13.5] [Reference Citation Analysis]
4 Yan F, Gao F. A systematic strategy for the investigation of vaccines and drugs targeting bacteria. Comput Struct Biotechnol J 2020;18:1525-38. [PMID: 32637049 DOI: 10.1016/j.csbj.2020.06.008] [Cited by in Crossref: 5] [Cited by in F6Publishing: 5] [Article Influence: 2.5] [Reference Citation Analysis]
5 Mujwar S, Kumar V. Computational Drug Repurposing Approach to Identify Potential Fatty Acid-Binding Protein-4 Inhibitors to Develop Novel Antiobesity Therapy. Assay Drug Dev Technol 2020;18:318-27. [PMID: 32799554 DOI: 10.1089/adt.2020.976] [Reference Citation Analysis]
6 He Y, Dou H, Gao D, Wang T, Zhang M, Wang H, Li Y. Identification of new dual FABP4/5 inhibitors based on a naphthalene-1-sulfonamide FABP4 inhibitor. Bioorg Med Chem 2019;27:115015. [PMID: 31420256 DOI: 10.1016/j.bmc.2019.07.031] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 0.3] [Reference Citation Analysis]
7 Kumari P, Poddar R. A comparative multivariate analysis of nitrilase enzymes: An ensemble based computational approach. Computational Biology and Chemistry 2019;83:107095. [DOI: 10.1016/j.compbiolchem.2019.107095] [Cited by in Crossref: 4] [Cited by in F6Publishing: 4] [Article Influence: 1.3] [Reference Citation Analysis]
8 Patro-Małysza J, Trojnar M, Kimber-Trojnar Ż, Mierzyński R, Bartosiewicz J, Oleszczuk J, Leszczyńska-Gorzelak B. FABP4 in Gestational Diabetes-Association between Mothers and Offspring. J Clin Med 2019;8:E285. [PMID: 30818771 DOI: 10.3390/jcm8030285] [Cited by in Crossref: 8] [Cited by in F6Publishing: 6] [Article Influence: 2.7] [Reference Citation Analysis]
9 Wang L, Wang Y, Zhao J, Yu Y, Kang N, Yang Z. Theoretical exploration of the binding selectivity of inhibitors to BRD7 and BRD9 with multiple short molecular dynamics simulations. RSC Adv 2022;12:16663-76. [DOI: 10.1039/d2ra02637f] [Reference Citation Analysis]
10 Zhao J, Sun H, Wang W, Zhang L, Chen J. Theoretical insights into mutation-mediated conformational changes of the GNP-bound H-RAS. Chemical Physics Letters 2020;759:138042. [DOI: 10.1016/j.cplett.2020.138042] [Cited by in Crossref: 6] [Cited by in F6Publishing: 5] [Article Influence: 3.0] [Reference Citation Analysis]
11 chen J, Yin B, Pang L, Wang W, Zhang JZH, Zhu T. Binding modes and conformational changes of FK506-binding protein 51 induced by inhibitor bindings: insight into molecular mechanisms based on multiple simulation technologies. Journal of Biomolecular Structure and Dynamics 2020;38:2141-55. [DOI: 10.1080/07391102.2019.1624616] [Cited by in Crossref: 10] [Cited by in F6Publishing: 9] [Article Influence: 3.3] [Reference Citation Analysis]
12 Yan F, Liu X, Zhang S, Zhang Q, Chen J. Understanding conformational diversity of heat shock protein 90 (HSP90) and binding features of inhibitors to HSP90 via molecular dynamics simulations. Chem Biol Drug Des 2020;95:87-103. [PMID: 31560152 DOI: 10.1111/cbdd.13623] [Cited by in Crossref: 3] [Cited by in F6Publishing: 3] [Article Influence: 1.0] [Reference Citation Analysis]
13 Chen J, Wang J, Yin B, Pang L, Wang W, Zhu W. Molecular Mechanism of Binding Selectivity of Inhibitors toward BACE1 and BACE2 Revealed by Multiple Short Molecular Dynamics Simulations and Free-Energy Predictions. ACS Chem Neurosci 2019;10:4303-18. [PMID: 31545898 DOI: 10.1021/acschemneuro.9b00348] [Cited by in Crossref: 45] [Cited by in F6Publishing: 43] [Article Influence: 15.0] [Reference Citation Analysis]
14 Wang Y, Wu S, Wang L, Yang Z, Zhao J, Zhang L. Binding selectivity of inhibitors toward the first over the second bromodomain of BRD4: theoretical insights from free energy calculations and multiple short molecular dynamics simulations. RSC Adv 2021;11:745-59. [DOI: 10.1039/d0ra09469b] [Cited by in Crossref: 2] [Article Influence: 2.0] [Reference Citation Analysis]
15 Zhu XL, Zhang R, Wu QY, Song YJ, Wang YX, Yang JF, Yang GF. Natural Product Neopeltolide as a Cytochrome bc1 Complex Inhibitor: Mechanism of Action and Structural Modification. J Agric Food Chem 2019;67:2774-81. [PMID: 30794394 DOI: 10.1021/acs.jafc.8b06195] [Cited by in Crossref: 24] [Cited by in F6Publishing: 19] [Article Influence: 8.0] [Reference Citation Analysis]
16 Espinosa YR, Alvarez HA, Howard EI, Carlevaro CM. Molecular dynamics simulation of the heart type fatty acid binding protein in a crystal environment. J Biomol Struct Dyn 2021;39:3459-68. [PMID: 32448092 DOI: 10.1080/07391102.2020.1773315] [Reference Citation Analysis]
17 Tiwari NP, Pandey JP, Pandey DM. Protein-protein docking and molecular dynamics studies of sericin and cocoonase of silkworm: an insight for cocoon softening. J Biomol Struct Dyn 2021;:1-13. [PMID: 34939532 DOI: 10.1080/07391102.2021.2017352] [Reference Citation Analysis]
18 Yin YY, Zhao J, Zhang LL, Xu XY, Liu JQ. Molecular mechanisms of inhibitor bindings to A-FABP deciphered by using molecular dynamics simulations and calculations of MM-GBSA. SAR QSAR Environ Res 2021;32:293-315. [PMID: 33655818 DOI: 10.1080/1062936X.2021.1891966] [Reference Citation Analysis]
19 Yu YX, Liu WT, Li HY, Wang W, Sun HB, Zhang LL, Wu SL. Decoding molecular mechanism underlying binding of drugs to HIV-1 protease with molecular dynamics simulations and MM-GBSA calculations. SAR QSAR Environ Res 2021;32:889-915. [PMID: 34551634 DOI: 10.1080/1062936X.2021.1979647] [Reference Citation Analysis]
20 Shi S, Sui K, Liu W, Lei Y, Zhang S, Zhang Q. Revealing binding selectivity of ligands toward murine double minute 2 and murine double minute X based on molecular dynamics simulations and binding free energy calculations. J Biomol Struct Dyn 2020;38:5081-94. [PMID: 31755361 DOI: 10.1080/07391102.2019.1695671] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 0.3] [Reference Citation Analysis]
21 Rani S, Kumari P, Poddar R, Chattopadhyay S. Study of lipase producing gene in wheat - an in silico approach. J Genet Eng Biotechnol 2021;19:73. [PMID: 33999287 DOI: 10.1186/s43141-021-00150-1] [Reference Citation Analysis]
22 Tian S, Zeng J, Liu X, Chen J, Zhang JZH, Zhu T. Understanding the selectivity of inhibitors toward PI4KIIIα and PI4KIIIβ based molecular modeling. Phys Chem Chem Phys 2019;21:22103-12. [DOI: 10.1039/c9cp03598b] [Cited by in Crossref: 16] [Article Influence: 5.3] [Reference Citation Analysis]
23 Kumari G, Nigam VK, Pandey DM. The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol. J Biomol Struct Dyn 2022;:1-14. [PMID: 35105279 DOI: 10.1080/07391102.2022.2033324] [Reference Citation Analysis]
24 Chen J, Wang X, Zhang JZH, Zhu T. Effect of Substituents in Different Positions of Aminothiazole Hinge-Binding Scaffolds on Inhibitor–CDK2 Association Probed by Interaction Entropy Method. ACS Omega 2018;3:18052-64. [DOI: 10.1021/acsomega.8b02354] [Cited by in Crossref: 12] [Cited by in F6Publishing: 9] [Article Influence: 3.0] [Reference Citation Analysis]
25 Chen J, Zeng Q, Wang W, Hu Q, Bao H. Q61 mutant-mediated dynamics changes of the GTP-KRAS complex probed by Gaussian accelerated molecular dynamics and free energy landscapes. RSC Adv 2022;12:1742-57. [PMID: 35425180 DOI: 10.1039/d1ra07936k] [Cited by in Crossref: 3] [Cited by in F6Publishing: 3] [Article Influence: 3.0] [Reference Citation Analysis]