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Quantitative Synthesis—An Update.
Morton SC, Murad MH, O’Connor E, Lee CS, Booth M, Vandermeer BW, Snowden JM, D’Anci KE, Fu R, Gartlehner G, Wang Z, Steele DW. Morton SC, et al. 2018 Feb 23. In: Methods Guide for Effectiveness and Comparative Effectiveness Reviews [Internet]. Rockville (MD): Agency for Healthcare Research and Quality (US); 2008–. 2018 Feb 23. In: Methods Guide for Effectiveness and Comparative Effectiveness Reviews [Internet]. Rockville (MD): Agency for Healthcare Research and Quality (US); 2008–. PMID: 30125065 Free Books & Documents. Review.
Heparin makes differences: a molecular dynamics simulation study on the human βII-tryptase monomer.
Wang Y, Zheng QC, Kong CP, Tian Y, Zhan J, Zhang JL, Zhang HX. Wang Y, et al. Mol Biosyst. 2015 Jan;11(1):252-61. doi: 10.1039/c4mb00381k. Epub 2014 Nov 4. Mol Biosyst. 2015. PMID: 25366115
The MD simulation results combined with MM-GB/SA calculations showed that heparin stabilized the beta-tryptase structure mainly through salt bridge interaction. The averaged noncovalent interaction (aNCI) method was employed for the visualization of nonbonding interactions …
The MD simulation results combined with MM-GB/SA calculations showed that heparin stabilized the beta-tryptase structure mainly through salt …
Enhanced Thermal Decomposition and Safety of Spherical CL-20@MOF-199 Composites via Micro-Nanostructured Self-Assembly Regulation.
Li H, Tong W, Yan Z, Li L, Wang S, Huo J, Yang L, Han J, Ren X, Li W. Li H, et al. ACS Appl Mater Interfaces. 2023 Sep 6;15(35):41850-41860. doi: 10.1021/acsami.3c06732. Epub 2023 Aug 23. ACS Appl Mater Interfaces. 2023. PMID: 37611067
MOF-199, which acts as an attractive combustion catalyst and a safety regulator, is uniformly coated on the surface of CL-20 with close interface contact between particles, effectively accelerating the thermal decomposition of CL-20 and ensuring safety performance. The average no …
MOF-199, which acts as an attractive combustion catalyst and a safety regulator, is uniformly coated on the surface of CL-20 with close inte …
4D-QSAR and MIA-QSAR Studies of Aminobenzimidazole Derivatives as Fourth-generation EGFR Inhibitors.
Jia X, Wei C, Tian N, Yan H, Wang H. Jia X, et al. Med Chem. 2024;20(2):140-152. doi: 10.2174/0115734064258994231106052633. Med Chem. 2024. PMID: 37957859
Furthermore, the molecular docking and averaged noncovalent interactions (aNCI) analysis were also performed to further understand the interactions between ligands and the EGFR targets, which was in good agreement with the 4D-QSAR model. ...
Furthermore, the molecular docking and averaged noncovalent interactions (aNCI) analysis were also performed to further understand th …
Separation of m-Cresol from Coal Tar Model Oil Using Propylamine-Based Ionic Liquids: Extraction and Interaction Mechanism Exploration.
Bing X, Wang Z, Wei F, Gao J, Xu D, Zhang L, Wang Y. Bing X, et al. ACS Omega. 2020 Sep 1;5(36):23090-23098. doi: 10.1021/acsomega.0c02863. eCollection 2020 Sep 15. ACS Omega. 2020. PMID: 32954159 Free PMC article.
In the meantime, molecular dynamics (MD) simulations were employed to comprehend the interaction mechanism, from which the noncovalent interaction energy (IE), radial distribution function (RDF), spatial distribution function (SDF), and averaged noncovalent interaction (aNCI …
In the meantime, molecular dynamics (MD) simulations were employed to comprehend the interaction mechanism, from which the noncovalent inter …