2 articles for “Thermodynamic Integration”

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Research ArticleOpen accessIn the keywordsDocking and Molecular Dynamics Simulations in Potential Drugs Discovery: An Application to Influenza Virus M2 ProteinMarine E. Bozdaganyan, Philipp S. Orekhov, Nicola L. Bragazzi et al.Molecular docking is a common method for searching new potential drugs. Improvement of the results of docking can be achieved by different ways-one of them is molecular dynamics simulations of protein-ligand complexes. As a model for our research we chose M2 membrane protein from influenza virus. M2 protein is a high selective tetrameric pH-gated proton channel. It was previously shown … …American Journal of Biochemistry and Biotechnology, Vol. 10, Issue 3 · 11 Nov 2014 · 8,669 accessesView PDF Cite

Research ArticleOpen accessIn the abstractCoupling Analysis of Thermodynamic Equilibrium of Mass Transfer and Microbial Community Succession in Multiphase System of Dark Tea Solid-State FermentationZhanjun Liu, Jiawei Sun, Taotao Li et al.During the solid-state fermentation of dark tea, the limited material migration, the dynamic evolution of the thermodynamic equilibrium state, and the highly dynamic succession of the microbial community make it difficult to analyze the quality formation mechanism systematically. Traditional research has focused on microbial diversity or sensory quality analysis, lacking a systematic discussion on the regulatory effects of material migration … …American Journal of Biochemistry and Biotechnology, Vol. 22, Issue 3 · 10 Aug 2026 · 1,004 accessesView PDF Cite