Comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'

Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size

(2018) Krystel El Hage et al.   eLife

Avoiding False Positive Conclusions in Molecular Simulation: The Importance of Replicas

(2018) Bernhard Knapp et al.   Journal of Chemical Theory and Computation

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

(2016) Jing Huang et al.   NATURE METHODS

Hemoglobin Bohr Effects: Atomic Origin of the Histidine Residue Contributions

(2013) Guishan Zheng et al.   BIOCHEMISTRY

Collective Dynamics Underlying Allosteric Transitions in Hemoglobin

(2013) Martin D. Vesper et al.   PLoS Computational Biology

Direct Determination of Protonation States of Histidine Residues in a 2 Å Neutron Structure of Deoxy-Human Normal Adult Hemoglobin and Implications for the Bohr Effect

(2010) Andrey Y. Kovalevsky et al.   JOURNAL OF MOLECULAR BIOLOGY

Spontaneous Quaternary and Tertiary T-R Transitions of Human Hemoglobin in Molecular Dynamics Simulation

(2010) Jochen S. Hub et al.   PLoS Computational Biology

Recognition Dynamics Up to Microseconds Revealed from an RDC-Derived Ubiquitin Ensemble in Solution

(2008) O. F. Lange et al.   SCIENCE