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中文版
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2017-10-12 13:27
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http://www.gpcrm.org/index-cn.html
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个人分类: 科研笔记|2096 次阅读|没有评论
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ParmEd, a cross-program parameter and topology file editor
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热度 1 2017-10-3 02:33
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Description ParmEd is a package designed to facilitate creating and easily manipulatingmolecular systems that are fully described by a common classical force field.Supported force fields include Amber, CHARMM, AMOEBA, and several others thatshare a similar functional form (e.g., GROMOS). ParmE ...
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个人分类: 科研笔记|6034 次阅读|1 个评论 热度 1
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Designing Safer Analgesics via u-Opioid Receptor Pathways
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2017-9-21 19:16
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HCS Chan, D McCarthy, J Li, K Palczewski, S Yuan *. Trends in Pharmacological Science (2017) DOI: http://dx.doi.org/10.1016/j.tips.2017.08.004 Pain is both a major clinical and economic problem, affecting more people than diabetes, heart disease, and cancer combined. While a ...
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个人分类: 科研笔记|2122 次阅读|没有评论
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an improved force field for folded and disordered protein
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2017-8-20 15:32
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CHARMM36m: An Improved Force Field for Folded and Intrinsically Disordered Proteins. Nature Methods, 2017 Jan; 14(1): 71–73. doi: 10.1038/nmeth.4067 Disordered protein is a challenge for molecular dynamic simulations, especially considering the lack of a proper force field. In a rece ...
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个人分类: 科研笔记|3131 次阅读|没有评论
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International Workshop on Biomembranes
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2016-6-26 05:43
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Description - Chemical interactions, lateral heterogeneity, and the lipid zoo. Lipidomic studies of membranes reveal a huge diversity of lipid types, the composition of which varies with cell and membrane type. All-atom models have recently been shown to quantitatively capture the chemistry of ...
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个人分类: 科研笔记|2598 次阅读|没有评论
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The stereoselectivity of 5-HT1A receptor
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2016-6-10 17:10
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Yuan, S*, Peng, Q, Palczewski, K., Vogel, H, Filipek, S*. (2016) Mechanistic Studies on the Stereoselectivity of the Serotonin 5-HT1A Receptor. Angew. Chem. Int. Ed DOI: 10.1002/anie.201603766R1 (2016) Full Text G-protein-coupled receptors (GPCRs) are involved in a wide range ...
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个人分类: 科研笔记|2560 次阅读|没有评论
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AutodockFR, a new open source, flexible docking tool
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2015-12-8 16:31
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As the most widely used docking tool, Autodock team released next version: AutodockFR. AutoDockFR: Advances in Protein-Ligand Docking with Explicitly Specified Binding Site Flexibility, Pradeep Anand Ravindranath, Stefano Forli, David S. Goodsell, Arthur J. Olson, Michel F. Sanner PLOS ...
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个人分类: 科研笔记|3088 次阅读|没有评论
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The first GPCR/arrestin complex structure released
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2015-7-23 14:54
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Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser Nature (2015) doi:10.1038/nature14656 full text PDB: 4ZWJ Abstract: G-protein-coupled receptors (GPCRs) signal primarily through G proteins or arrestins. Arrestin binding to GPCRs blocks G protein interaction a ...
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个人分类: 科研笔记|3319 次阅读|没有评论
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WATsite, a free useful tool for hydration site prediction
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2015-5-4 22:29
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All protein ligand interactions take place in bulk environment. It is important to predict how water molecules in the binding pocket affect their interactions. Thus, a number of tools, including WATsite , Waterdock , Schrodinger Watermap , OpenEYE SZMAP and WaterLap , were developed for this ...
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个人分类: 科研笔记|3216 次阅读|没有评论
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