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#### Implicit solvent
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Kleinjung, J. and Fraternali, F.<br>
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*Design and Application of Implicit Solvent Models in Biomolecular Simulations.*<br>
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**Current Opinion in Structural Biology** 25 (2014) 126-134.<br>
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[![doi](https://img.shields.io/badge/doi-10.1016/j.sbi.2014.04.003-blue.svg?style=flat)](https://dx.doi.org/10.1016/j.sbi.2014.04.003)
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[![pubmed](https://img.shields.io/badge/pubmed-4045398-blue.svg?style=flat)](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4045398/)
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cff-version: 1.2.0
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message: "References converted from the provided Markdown citation list."
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references:
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- authors:
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- family-names: Kleinjung
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given-names: Jens
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- family-names: Fraternali
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given-names: Franca
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title: "Design and Application of Implicit Solvent Models in Biomolecular Simulations"
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journal: "Current Opinion in Structural Biology"
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year: 2014
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doi: "10.1016/j.sbi.2014.04.003"
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Fraternali, F. and van Gunsteren, W.F.<br>
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*An efficient mean solvation force model for use in molecular dynamics simulations of proteins in aqueous solution.*<br>
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**Journal of Molecular Biology** 256 (1996) 939-948.<br>
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[![doi](https://img.shields.io/badge/doi-10.1016%2Fj.jmb.2014.03.010-blue.svg?style=flat)](https://dx.doi.org/10.1016%2Fj.sbi.2014.04.003)
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[![pubmed](https://img.shields.io/badge/pubmed-24681267-blue.svg?style=flat)](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4045398/)
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- authors:
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- family-names: Fraternali
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given-names: Franca
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- family-names: van Gunsteren
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given-names: Wilfred F.
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title: "An efficient mean solvation force model for use in molecular dynamics simulations of proteins in aqueous solution"
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journal: "Journal of Molecular Biology"
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year: 1996
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#### POPS method
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Fraternali, F. and Cavallo, L.<br>
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*Parameter optimized surfaces (POPS): analysis of key interactions and conformational changes in the ribosome.*<br>
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**Nucleic Acids Research** 30 (2002) 2950-2960.<br>
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[![doi](https://im)](https://dx.doi.org/10.1093%2Fnar%2Fgkf373)
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[![pubmed](https://img.shields.io/badge/pubmed-117037-blue.svg?style=flat)](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC117037/)
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- authors:
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- family-names: Fraternali
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given-names: Franca
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- family-names: Cavallo
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given-names: Luigi
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title: "Parameter optimized surfaces (POPS): analysis of key interactions and conformational changes in the ribosome"
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journal: "Nucleic Acids Research"
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year: 2002
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doi: "10.1093/nar/gkf373"
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#### POPS server
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Cavallo, L., Kleinjung, J. and Fraternali, F.<br>
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*POPS: A fast algorithm for solvent accessible surface areas at atomic and residue level.*<br>
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**Nucleic Acids Research** 31 (2003) 3364-3366.<br>
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[![doi](https://img.shields.io/badge/doi-0.1093%2Fnar%2Fgkg601-blue.svg?style=flat)](https://dx.doi.org/10.1093%2Fnar%2Fgkg601)
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[![pubmed](https://img.shields.io/badge/pubmed-169007-blue.svg?style=flat)](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC169007/)
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- authors:
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- family-names: Cavallo
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given-names: Luigi
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- family-names: Kleinjung
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given-names: Jens
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- family-names: Fraternali
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given-names: Franca
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title: "POPS: A fast algorithm for solvent accessible surface areas at atomic and residue level"
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journal: "Nucleic Acids Research"
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year: 2003
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doi: "10.1093/nar/gkg601"
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#### POPSCOMP method and server
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Kleinjung, J. and Fraternali, F.<br>
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*POPSCOMP: an automated interaction analysis of biomolecular complexes.*<br>
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**Nucleic Acids Research** 33 (2005) W342-W346.<br>
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[![doi](https://img.shields.io/badge/doi-10.1093%2Fnar%2Fgki369-blue.svg?style=flat)](https://dx.doi.org/10.1093%2Fnar%2Fgki369)
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[![pubmed](https://img.shields.io/badge/pubmed-1160130-blue.svg?style=flat)](https://www.ncbi.nlm.nih.gov/pmc/articles/PMC1160130/)
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- authors:
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- family-names: Kleinjung
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given-names: Jens
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- family-names: Fraternali
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given-names: Franca
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title: "POPSCOMP: an automated interaction analysis of biomolecular complexes"
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journal: "Nucleic Acids Research"
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year: 2005
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doi: "10.1093/nar/gki369"

POPSR/inst/popsr/app.R

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# and those are coded in .../POPScomp/R/popscomp.R.
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# For single-chain proteins, "popscomp.R" returns without additional computations.
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#
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# (C) 2019 -2026 Jens Kleinjung and Franca Fraternali
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# (C) 2019-2026 Jens Kleinjung and Franca Fraternali
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#===============================================================================
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library(shiny)
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p("In case the server does not work as expected or server-related issues
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need clarification, please email the maintainers:
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Jens Kleinjung (jens@jkleinj.eu) and
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Franca Fraternali (franca.fraternali@ucl.ac.uk).
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Franca Fraternali (f.fraternali@ucl.ac.uk).
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For software and output errors, feature suggestions and similar topics,
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please add an entry to the ",
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a("Issues tab on the POPScomp GitHub page", href="https://github.com/Fraternalilab/POPScomp/issues"), "."

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