Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'

Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'

We recently reported that molecular dynamics simulations for hemoglobin require a surprisingly large box size to stabilize the T(0) state relative to R(0), as observed in experiments (El Hage et al., 2018). Gapsys and de Groot have commented on this work but do not provide convincing evidence that t...

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Bibliografske podrobnosti
Main Authors: Krystel El Hage, Florent Hédin, Prashant K Gupta, Markus Meuwly, Martin Karplus
Format: Article
Jezik:English
Izdano: eLife Sciences Publications Ltd 2019-06-01
Serija:eLife
Teme:
hemoglobin
molecular dynamics
hydrophobic effect
box size
Online dostop:https://elifesciences.org/articles/45318

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