amber 2016 10 software package (Molecular Dynamics Inc)
90
Structured Review
Molecular Dynamics Inc
amber 2016 10 software package
Amber 2016 10 Software Package, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/amber+10+software+package/amber+2016+10+software+package/10__1021_slash_acscatal__2c04735____cs2c04735_si_001-44-7-0
Average 90 stars, based on 1 article reviews
Amber 2016 10 Software Package, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/amber+10+software+package/amber+2016+10+software+package/10__1021_slash_acscatal__2c04735____cs2c04735_si_001-44-7-0
Average 90 stars, based on 1 article reviews
amber 2016 10 software package - by Bioz Stars,
2026-10
90/100 stars
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Software:Article Title: Exploring structural and thermodynamic stabilities of human prion protein pathogenic mutants D202N, E211Q and Q217R. Article Snippet: The central event in the pathogenesis of prion protein (PrP) is a profound conformational change from its a-helical (PrP) to its b-sheet-rich isoform (PrP).. Many single amino acid mutations of PrP are associated with familial prion diseases, such as D202N, E211Q, and Q217R mutations located at the third native a-helix of human PrP.. In order to explore the underlying structural and dynamic effects of these mutations, we performed all-atom molecular dynamics (MD) simulations for the wild-type (WT) PrP and its mutants. Article Title: Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on the aryl hydrocarbon receptor agonistic activity of hydroxylated polychlorinated biphenyls. Article Snippet: Accepted Manuscript Title: Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on the aryl hydrocarbon receptor agonistic activity of hydroxylated polychlorinated biphenyls Authors: Fu Cao Xiaolin Li Li Ye Yuwei Xie Xiaoxiang Wang Wei Shi Xiangping Qian Yongliang Zhu Hongxia Yu PII: S1382-6689(13)00136-1 DOI: http://dx.doi.org/doi:10.1016/j.etap.2013.06.004 Reference: ENVTOX 1777 To appear in: Environmental Toxicology and Pharmacology Received date: 14-3-2013 Revised date: 11-6-2013 Accepted date: 15-6-2013 Please cite this article as: Cao, F., Li, X., Ye, L., Xie, Y., Wang, X., Shi, W., Qian, X., Zhu, Y., Yu, H., Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on the aryl hydrocarbon receptor agonistic activity of hydroxylated polychlorinated biphenyls, Environmental Toxicology and Pharmacology (2013), http://dx.doi.org/10.1016/j.etap.2013.06.004 This is a PDF file of an unedited manuscript that has been accepted for publication.. As a service to our customers we are providing this early version of the manuscript.. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Article Title: Molecular dynamics simulation on the inhibition mechanism of peptide-based inhibitor of islet amyloid polypeptide (IAPP) to islet amyloid polypeptide (IAPP 22-28 ) oligomers. Article Snippet: This article has been accepted for publication and undergone full peer review but has not been through the copyediting, typesetting, pagination and proofreading process, which may lead to differences between this version and the Version of Record.. Please cite this article as doi: 10.1111/cbdd.12924 This article is protected by copyright.. All rights reserved. Article Title: Monitoring the Folding of Trp-cage Peptide by Two-dimensional Infrared (2DIR) Spectroscopy Article Snippet: .. Molecular dynamics (MD) simulations All MD simulations were carried out using the Article Title: Binding mode and free energy prediction of fisetin/β-cyclodextrin inclusion complexes Article Snippet: .. Molecular dynamics simulations Each MD simulation of fisetin/β-CD inclusion complexes was performed by the Article Title: The environmental endocrine disruptor p-nitrophenol interacts with FKBP51, a positive regulator of androgen receptor and inhibits androgen receptor signaling in human cells. Article Snippet: School of Life Sciences, Lanzhou University, Lanzhou 730000, PR China Institute of Urology, Lanzhou University Second Hospital, Key Laboratory of Urological Diseases in Gansu Province, Gansu Nephro-Urological Clinical enter, Lanzhou, Gansu 730000, PR China MOE Key Laboratory of Cell Activities and Stress Adaptations, School of Life Sciences, Lanzhou University, Lanzhou 730000, PR China Gansu Key Laboratory of Biomonitoring and Bioremediation for Environmental Pollution, School of Life Sciences, Lanzhou University, Lanzhou, PR China Cuiying Honors College, Lanzhou University, Lanzhou 730000, PR China Article Title: Dissecting the Cytochrome P450 1A2- and 3A4-Mediated Metabolism of Aflatoxin B1 in Ligand and Protein Contributions. Article Snippet: Aflatoxin B1 (AFB1) is a chemically intriguing compound because it has several potential sites of metabolism (SOMs) while only some of them are observed experimentally.. Cytochrome P450 (CYP) 3A4 and 1A2 are the major isoforms involved in its metabolism.. Here, we systematically investigate reactivity and accessibility of all possible SOMs in these two CYPs to elucidate AFB1 metabolism. Article Title: Two-dimensional Stimulated Resonance Raman Spectroscopy Study of the Trp-cage Peptide Folding Article Snippet: .. A. Molecular dynamics simulations We carried out all the MD simulations and part of the analysis using Binding Assay:Article Title: Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on the aryl hydrocarbon receptor agonistic activity of hydroxylated polychlorinated biphenyls. Article Snippet: Accepted Manuscript Title: Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on the aryl hydrocarbon receptor agonistic activity of hydroxylated polychlorinated biphenyls Authors: Fu Cao Xiaolin Li Li Ye Yuwei Xie Xiaoxiang Wang Wei Shi Xiangping Qian Yongliang Zhu Hongxia Yu PII: S1382-6689(13)00136-1 DOI: http://dx.doi.org/doi:10.1016/j.etap.2013.06.004 Reference: ENVTOX 1777 To appear in: Environmental Toxicology and Pharmacology Received date: 14-3-2013 Revised date: 11-6-2013 Accepted date: 15-6-2013 Please cite this article as: Cao, F., Li, X., Ye, L., Xie, Y., Wang, X., Shi, W., Qian, X., Zhu, Y., Yu, H., Molecular docking, molecular dynamics simulation, and structure-based 3D-QSAR studies on the aryl hydrocarbon receptor agonistic activity of hydroxylated polychlorinated biphenyls, Environmental Toxicology and Pharmacology (2013), http://dx.doi.org/10.1016/j.etap.2013.06.004 This is a PDF file of an unedited manuscript that has been accepted for publication.. As a service to our customers we are providing this early version of the manuscript.. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. |