Literature DB >> 16608182

Recent advances in molecular simulations of ion solvation at liquid interfaces.

Tsun-Mei Chang1, Liem X Dang.   

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Year:  2006        PMID： 16608182     DOI： 10.1021/cr0403640

Source DB:  PubMed          Journal:  Chem Rev        ISSN： 0009-2665            Impact factor:   60.622


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  29 in total

1.  Structural and technical details of the Kirkwood-Buff integrals from the optimization of ionic force fields: focus on fluorides.

Authors:  M Fyta
Journal:  Eur Phys J E Soft Matter       Date:  2012-03-22       Impact factor: 1.890

Review 2.  CHARMM: the biomolecular simulation program.

Authors:  B R Brooks; C L Brooks; A D Mackerell; L Nilsson; R J Petrella; B Roux; Y Won; G Archontis; C Bartels; S Boresch; A Caflisch; L Caves; Q Cui; A R Dinner; M Feig; S Fischer; J Gao; M Hodoscek; W Im; K Kuczera; T Lazaridis; J Ma; V Ovchinnikov; E Paci; R W Pastor; C B Post; J Z Pu; M Schaefer; B Tidor; R M Venable; H L Woodcock; X Wu; W Yang; D M York; M Karplus
Journal:  J Comput Chem       Date:  2009-07-30       Impact factor: 3.376

3.  Polarizable Force Field for Molecular Ions Based on the Classical Drude Oscillator.

Authors:  Fang-Yu Lin; Pedro E M Lopes; Edward Harder; Benoît Roux; Alexander D MacKerell
Journal:  J Chem Inf Model       Date:  2018-04-17       Impact factor: 4.956

4.  On the fluctuations that drive small ions toward, and away from, interfaces between polar liquids and their vapors.

Authors:  Joyce Noah-Vanhoucke; Phillip L Geissler
Journal:  Proc Natl Acad Sci U S A       Date:  2009-08-31       Impact factor: 11.205

Review 5.  Biomolecular electrostatics and solvation: a computational perspective.

Authors:  Pengyu Ren; Jaehun Chun; Dennis G Thomas; Michael J Schnieders; Marcelo Marucho; Jiajing Zhang; Nathan A Baker
Journal:  Q Rev Biophys       Date:  2012-11       Impact factor: 5.318

6.  Dehydration of a polyether type extraction agent and of the corresponding K⁺ complex: insights into liquid-liquid extraction mechanisms by quantum chemical methods.

Authors:  Mário Valente; Sérgio Filipe Sousa; Alexandre L Magalhães; Cristina Freire
Journal:  J Mol Model       Date:  2012-06-26       Impact factor: 1.810

7.  On the polarization of ligands by proteins.

Authors:  Soohaeng Yoo Willow; Bing Xie; Jason Lawrence; Robert S Eisenberg; David D L Minh
Journal:  Phys Chem Chem Phys       Date:  2020-06-04       Impact factor: 3.676

8.  Accurate Prediction of the Hydration Free Energies of 20 Salts through Adaptive Force Matching and the Proper Comparison with Experimental References.

Authors:  Jicun Li; Feng Wang
Journal:  J Phys Chem B       Date:  2017-06-29       Impact factor: 2.991

9.  Temperature dependence and energetics of single ions at the aqueous liquid-vapor interface.

Authors:  Shuching Ou; Sandeep Patel
Journal:  J Phys Chem B       Date:  2013-05-17       Impact factor: 2.991

10.  Effects of monovalent anions of the hofmeister series on DPPC lipid bilayers Part I: swelling and in-plane equations of state.

Authors:  A Aroti; E Leontidis; M Dubois; T Zemb
Journal:  Biophys J       Date:  2007-05-11       Impact factor: 4.033
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