Abstract
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 the conclusions of El Hage et al., 2018 are incorrect. Here we respond to these concerns, argue that our original conclusions remain valid, and raise our own concerns about some of the results reported in the comment by Gapsys and de Groot that require clarification.
| Original language | English |
|---|---|
| Article number | e45318 |
| Journal | eLife |
| Volume | 8 |
| DOIs | |
| State | Published - 20 Jun 2019 |
| Externally published | Yes |
Bibliographical note
Publisher Copyright:© El Hage et al.
Funding
Swiss National Science Foundation 200021-117810 Markus Meuwly; Swiss National Science Foundation NCCR MUST Markus Meuwly; CHARMM Developent Project Martin Karplus.
| Funders | Funder number |
|---|---|
| Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung |