Hydration and its Hydrogen Bonding State on a Protein Surface in the Crystalline State as Revealed by Molecular Dynamics Simulation
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[1] N. Shibayama,et al. Freezable and Unfreezable Hydration Water: Distinct Contributions to Protein Dynamics Revealed by Neutron Scattering. , 2021, The journal of physical chemistry letters.
[2] K. Hellingwerf,et al. Confinement in crystal lattice alters entire photocycle pathway of the Photoactive Yellow Protein , 2020, Nature Communications.
[3] A. Cámara-Artigas,et al. Major conformational changes in the structure of lysozyme obtained from a crystal with a very low solvent content. , 2019, Acta crystallographica. Section F, Structural biology communications.
[4] D. Case,et al. Molecular dynamics simulations of macromolecular crystals , 2018, Wiley interdisciplinary reviews. Computational molecular science.
[5] A. Fitch,et al. In situ detection of a novel lysozyme monoclinic crystal form upon controlled relative humidity variation , 2018, Journal of Applied Crystallography.
[6] Osamu Miyashita,et al. Role of Computational Methods in Going beyond X-ray Crystallography to Explore Protein Structure and Dynamics , 2018, International journal of molecular sciences.
[7] C. Verma,et al. Molecular Environment Modulates Conformational Differences between Crystal and Solution States of Human β-Defensin 2. , 2017, The journal of physical chemistry. B.
[8] O. Carugo,et al. How many water molecules are detected in X‐ray protein crystal structures? , 2017 .
[9] Pawel A. Janowski,et al. Molecular dynamics simulation of triclinic lysozyme in a crystal lattice , 2016, Protein science : a publication of the Protein Society.
[10] M. Nakasako,et al. A few low-frequency normal modes predominantly contribute to conformational responses of hen egg white lysozyme in the tetragonal crystal to variations of molecular packing controlled by environmental humidity. , 2011, Biophysical chemistry.
[11] M. Kataoka,et al. Percolation of Hydration Water as a Control of Protein Dynamics , 2010 .
[12] T. Kinoshita,et al. Combined high-resolution neutron and X-ray analysis of inhibited elastase confirms the active-site oxyanion hole but rules against a low-barrier hydrogen bond. , 2009, Journal of the American Chemical Society.
[13] A. Kalinichev,et al. Hydrogen-bonding structure and dynamics of aqueous carbonate species from car-parrinello molecular dynamics simulations. , 2009, The journal of physical chemistry. B.
[14] Zhongqiao Hu,et al. Molecular dynamics simulations for water and ions in protein crystals. , 2008, Langmuir : the ACS journal of surfaces and colloids.
[15] Y. Joti,et al. Hydration-dependent protein dynamics revealed by molecular dynamics simulation of crystalline staphylococcal nuclease. , 2008, The journal of physical chemistry. B.
[16] I. Tanaka,et al. Recent results on hydrogen and hydration in biology studied by neutron macromolecular crystallography , 2006, Cellular and Molecular Life Sciences CMLS.
[17] Jeremy C. Smith,et al. Fluctuations and correlations in crystalline protein dynamics: a simulation analysis of staphylococcal nuclease. , 2005, Biophysical journal.
[18] M. Nakasako. Water-protein interactions from high-resolution protein crystallography. , 2004, Philosophical transactions of the Royal Society of London. Series B, Biological sciences.
[19] Junichi Higo,et al. Hydration structure of human lysozyme investigated by molecular dynamics simulation and cryogenic X‐ray crystal structure analyses: On the correlation between crystal water sites, solvent density, and solvent dipole , 2002, J. Comput. Chem..
[20] D. Tobias,et al. The dynamics of protein hydration water: a quantitative comparison of molecular dynamics simulations and neutron-scattering experiments. , 2000, Biophysical journal.
[21] Douglas J. Tobias,et al. Environmental Dependence of the Dynamics of Protein Hydration Water , 1999 .
[22] M. Nakasako,et al. Large-scale networks of hydration water molecules around bovine beta-trypsin revealed by cryogenic X-ray crystal structure analysis. , 1999, Journal of molecular biology.
[23] G. Careri. Cooperative charge fluctuations by migrating protons in globular proteins. , 1998, Progress in biophysics and molecular biology.
[24] J. R. Grigera,et al. A multicopy modeling of the water distribution in macromolecular crystals , 1997, Proteins.
[25] B M Pettitt,et al. A Connected‐cluster of hydration around myoglobin: Correlation between molecular dynamics simulations and experiment , 1994, Proteins.
[26] R. Kodandapani,et al. Crystal structure of low humidity tetragonal lysozyme at 2.1-A resolution. Variability in hydration shell and its structural consequences. , 1991, The Journal of biological chemistry.
[27] M. Teeter,et al. Water structure of a hydrophobic protein at atomic resolution: Pentagon rings of water molecules in crystals of crambin. , 1981, Proceedings of the National Academy of Sciences of the United States of America.
[28] E. Gratton,et al. Water and globular proteins , 1983 .