Literature DB >> 16080223

Solute-solvent charge transfer in aqueous solution.

Matteo Dal Peraro1, Simone Raugei, Paolo Carloni, Michael L Klein.   

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Year:  2005        PMID: 16080223     DOI: 10.1002/cphc.200500039

Source DB:  PubMed          Journal:  Chemphyschem        ISSN: 1439-4235            Impact factor:   3.102


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  8 in total

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2.  How accurate is the description of ligand-protein interactions by a hybrid QM/MM approach?

Authors:  Jakub Kollar; Vladimir Frecer
Journal:  J Mol Model       Date:  2017-12-12       Impact factor: 1.810

3.  Short solvent model for ion correlations and hydrophobic association.

Authors:  Ang Gao; Richard C Remsing; John D Weeks
Journal:  Proc Natl Acad Sci U S A       Date:  2020-01-07       Impact factor: 11.205

4.  Solvation properties of N-acetyl-β-glucosamine: molecular dynamics study incorporating electrostatic polarization.

Authors:  Yang Zhong; Brad A Bauer; Sandeep Patel
Journal:  J Comput Chem       Date:  2011-09-07       Impact factor: 3.376

5.  On the zwitterionic nature of gas-phase peptides and protein ions.

Authors:  Roberto Marchese; Rita Grandori; Paolo Carloni; Simone Raugei
Journal:  PLoS Comput Biol       Date:  2010-05-06       Impact factor: 4.475

6.  Interactions between phosphate and water in solution: a natural bond orbital based analysis in a QM/MM framework.

Authors:  Yang Yang; Qiang Cui
Journal:  J Phys Chem B       Date:  2007-03-29       Impact factor: 2.991

7.  Origin of the Shape of Current-Voltage Curve through Nanopores: A Molecular Dynamics Study.

Authors:  Takashi Sumikama
Journal:  Sci Rep       Date:  2016-05-11       Impact factor: 4.379

8.  A Force Balanced Fragmentation Method for ab Initio Molecular Dynamic Simulation of Protein.

Authors:  Mingyuan Xu; Tong Zhu; John Z H Zhang
Journal:  Front Chem       Date:  2018-05-30       Impact factor: 5.221

  8 in total

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