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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Chi tiết về thư mục
Những tác giả chính: Krystel El Hage, Florent Hédin, Prashant K Gupta, Markus Meuwly, Martin Karplus
Định dạng: Bài viết
Ngôn ngữ:English
Được phát hành: eLife Sciences Publications Ltd 2019-06-01
Loạt:eLife
Những chủ đề:
hemoglobin
molecular dynamics
hydrophobic effect
box size
Truy cập trực tuyến:https://elifesciences.org/articles/45318

Internet

https://elifesciences.org/articles/45318

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