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...

Descrizione completa

Dettagli Bibliografici
Autori principali:	Krystel El Hage, Florent Hédin, Prashant K Gupta, Markus Meuwly, Martin Karplus
Natura:	Articolo
Lingua:	English
Pubblicazione:	eLife Sciences Publications Ltd 2019-06-01
Serie:	eLife
Soggetti:	hemoglobin molecular dynamics hydrophobic effect box size
Accesso online:	https://elifesciences.org/articles/45318

Documenti analoghi

Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size
di: Krystel El Hage, et al.
Pubblicazione: (2018-07-01)

Comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'
di: Vytautas Gapsys, et al.
Pubblicazione: (2019-06-01)

Aggregate size distributions in hydrophobic flocculation
di: Chairoj Rattanakawin
Pubblicazione: (2003-07-01)

Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin
di: Pezzella, Marco, et al.
Pubblicazione: (2022)

Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin
di: Pezzella, Marco, et al.
Pubblicazione: (2021)

Optimization of Atmospheric Plasma Treatment Parameters for Hydrophobic Finishing of Silk Using Box Behnken Design
di: Pintu Pandit, et al.
Pubblicazione: (2022-02-01)

Analysis of sickle hemoglobin
di: A Shrestha, et al.
Pubblicazione: (2013-10-01)

Compound heterozygosity for hemoglobin D and hemoglobin E
di: Mohammad Mizanur Rahman, et al.
Pubblicazione: (2016-12-01)

First Observation of Hemoglobin San Diego, a High Oxygen Affinity Hemoglobin Variant, in Turkey
di: Ebru Yılmaz Keskin, et al.
Pubblicazione: (2017-11-01)

Stable hemoglobin-based biosensor based on coordination-assisted microfluidic technology for hydrogen peroxide determination
di: Rongwei Gao, et al.
Pubblicazione: (2023-06-01)

About Chediak-Higashi, Hemoglobin Lansing, and Hemoglobin Jabalpur
di: Şinasi Özsoylu
Pubblicazione: (2015-02-01)

A Population‐Based Correlation Analysis Between Hemoglobin A1c and Hemoglobin Levels
di: Tingyu Zhang, et al.
Pubblicazione: (2025-02-01)

Dependencies of Surface Condensation on the Wettability and Nanostructure Size Differences
di: Ming-Jun Liao, et al.
Pubblicazione: (2020-09-01)

Size and Shape Controlled Crystallization of Hemoglobin for Advanced Crystallography
di: Ayana Sato-Tomita, et al.
Pubblicazione: (2017-09-01)

Assessment of hemoglobin content of packed red cells: A prospective study on hemoglobin content variation due to donor, collection, and processing-related factors. Is it time to label each unit with hemoglobin content?
di: Romesh Jain, et al.
Pubblicazione: (2022-01-01)

Hemoglobin SE disease in Hatay, in the southern part of Turkey
di: Can Acipayam, et al.
Pubblicazione: (2015-02-01)

Quantitation of hemoglobins using Sebia Capillarys-2 capillary electrophoresis (CE) for A1c: Comparison to results using CE for hemoglobins
di: Catherine M. Tucker, et al.
Pubblicazione: (2023-03-01)

The curious case of hemoglobin DC disease masquerading as sickle cell anemia
di: Samina Hirani, et al.
Pubblicazione: (2020-05-01)

Boxing and medicine /
di: Cantu, Robert C.
Pubblicazione: (1995)

Hydroxyurea ameliorates mouse hypoxia through inducing embryonic hemoglobin
di: ZHOU Xiaoying, et al.
Pubblicazione: (2023-01-01)

Oxidized Mutant Human Hemoglobins S and E Induce Oxidative Stress and Bioenergetic Dysfunction in Human Pulmonary Endothelial Cells
di: Sirsendu Jana, et al.
Pubblicazione: (2017-12-01)

The Pathophysiology of Extracellular Hemoglobin Associated with Enhanced Oxidative Reactions
di: Joseph M Rifkind, et al.
Pubblicazione: (2015-01-01)

A New Hyperchaotic System-Based Design for Efficient Bijective Substitution-Boxes
di: Eesa Al Solami, et al.
Pubblicazione: (2018-07-01)

Hemoglobin Himeji and inconsistent hemoglobin A1c values: a case report
di: Vânia Guedes, et al.
Pubblicazione: (2017-07-01)

Hemoglobin decrease predicts untoward outcomes better than severity of anemia
di: Brigitta Teutsch, et al.
Pubblicazione: (2024-12-01)

HB UBE-2 variant hemoglobin case detected during HBA1C measurement
di: Evin Kocatürk, et al.
Pubblicazione: (2021-06-01)

Misleading HbA1c Measurement in Diabetic Patients with Hemoglobin Variants
di: Manthana Mitchai, et al.
Pubblicazione: (2021-06-01)

Complete book of boxing /
di: 466215 Kumar, Narendera
Pubblicazione: (2006)

Concordance between Reticulocyte Hemoglobin Equivalent and Reticulocyte Hemoglobin Content in CKD Patients Undergoing Hemodialysis
di: Riadi Wirawan, et al.
Pubblicazione: (2017-04-01)

Visual Performance Correlation with Corneal Aberrometric Profile and Pupil Size After Implantation of a Trifocal Hydrophobic IOL
di: Bosc C, et al.
Pubblicazione: (2024-12-01)

Understanding Hydrogen: Lessons to Be Learned from Physical Interactions between the Inert Gases and the Globin Superfamily
di: John T. Hancock, et al.
Pubblicazione: (2022-11-01)

Controlling Particle Morphology and Pore Size in the Synthesis of Ordered Mesoporous Materials
di: Yaregal Awoke, et al.
Pubblicazione: (2020-10-01)

Pengaruh Wet Cupping terhadap Peningkatan Kadar Hemoglobin
di: Ibrahim Edy Sapada, et al.
Pubblicazione: (2019-09-01)

HEMOGLOBIN LEVELS AS RISK FACTOR OF LOW BIRTH WEIGHT
di: Fitriana Ciptaningtyas, et al.
Pubblicazione: (2022-04-01)

Novel Delivery of Mitoxantrone with Hydrophobically Modified Pullulan Nanoparticles to Inhibit Bladder Cancer Cell and the Effect of Nano-drug Size on Inhibition Efficiency
di: Xiaojun Tao, et al.
Pubblicazione: (2018-10-01)

THE THE ROLE OF NUTRITIONAL STATUS ON HEMOGLOBIN LEVELS IN ADOLESCENTS
di: Jiarti Kusbandiyah, et al.
Pubblicazione: (2024-06-01)

Hemoglobin: Modification, Crystallization, Polymerization (Review)
di: V. A. Sergunova, et al.
Pubblicazione: (2017-01-01)

THE EFFECT OF ACUPRESSURE TO HEMOGLOBIN LEVELS OF THE ELDERLY
di: Imrok Atus Sholihah, et al.
Pubblicazione: (2023-02-01)

Incidental finding of rare hemoglobin: hemoglobin Bari in northeast Spain
di: Lahoz Alonso Raquel, et al.
Pubblicazione: (2023-07-01)

Hemoglobin can Act as a (Pseudo)-Peroxidase in Vivo. What is the Evidence?
di: Abdu I. Alayash, et al.
Pubblicazione: (2022-06-01)