How To Tackle the Issues in Free Energy Simulations of Long Amphiphiles Interacting with Lipid Membranes: Convergence and Local Membrane Deformations

Hugo A. L. Filipe; Maria Joao Moreno; Tomasz Rog; Ilpo Vattulainen; Luis M. S. Loura

doi:10.1021/jp501622d

How To Tackle the Issues in Free Energy Simulations of Long Amphiphiles Interacting with Lipid Membranes: Convergence and Local Membrane Deformations

Hugo A. L. Filipe
, Maria Joao Moreno
, Tomasz Rog
, Ilpo Vattulainen
, Luis M. S. Loura

Research output: Contribution to journal › Article › Scientific › peer-review

63 Citations (Scopus)

Translated title of the contribution	How To Tackle the Issues in Free Energy Simulations of Long Amphiphiles Interacting with Lipid Membranes: Convergence and Local Membrane Deformations
Original language	English
Pages (from-to)	3572-3581
Number of pages	10
Journal	Journal of Physical Chemistry B
Volume	118
Issue number	13
DOIs	https://doi.org/10.1021/jp501622d
Publication status	Published - 2014
Publication type	A1 Journal article-refereed

Publication forum classification

Publication forum level 3

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10.1021/jp501622d

Cite this

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title = "How To Tackle the Issues in Free Energy Simulations of Long Amphiphiles Interacting with Lipid Membranes: Convergence and Local Membrane Deformations",

author = "Filipe, \{Hugo A. L.\} and Moreno, \{Maria Joao\} and Tomasz Rog and Ilpo Vattulainen and Loura, \{Luis M. S.\}",

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doi = "10.1021/jp501622d",

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journal = "Journal of Physical Chemistry B",

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T1 - How To Tackle the Issues in Free Energy Simulations of Long Amphiphiles Interacting with Lipid Membranes: Convergence and Local Membrane Deformations

AU - Filipe, Hugo A. L.

AU - Moreno, Maria Joao

AU - Rog, Tomasz

AU - Vattulainen, Ilpo

AU - Loura, Luis M. S.

N1 - Contribution: organisation=fys,FACT1=1<br/>Portfolio EDEND: 2014-05-20<br/>Publisher name: American Chemical Society

PY - 2014

Y1 - 2014

U2 - 10.1021/jp501622d

DO - 10.1021/jp501622d

M3 - Article

SN - 1520-6106

VL - 118

SP - 3572

EP - 3581

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

IS - 13

ER -