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Protein Dynamics in Transition
A Critical Review of Bio-Neutron Scattering Literature
by Wolfgang Doster

The title of this site refers to a paper by Doster et al. Nature (1989) which created a big wave of publications on this topic. While the main topic of my paper was inelastic neutron scattering, most subsequent papers reduce the subject to pure elastic scattering and mean square displacements, which I call "displacementology". The purpose of this site is to address the unusually large number of publications in this field, which are seriously flawed or are intended to be misleading. This concerns in particular major journals like Physical Review Letters, PNAS or Science. This field has been captured by a bunch of insiders, which support each others publications as referees, but never question their work. Essentially only supportive work is referenced. Authors, which discuss the work of insiders critically like me are excluded from the inner circle and are treated as outsiders, which can be ignored. As a consequence, even insider papers, which are totally obsolete, are often cited as being ingenious, like the Zaccai Science 2000 paper (Smith, PRL 2017). This attitude slows down progress in the field dramatically . In 2002 one of the insiders, Joe Zaccai, told his collaborators, that for the future, Doster et al. will no longer be cited by them. In 20 years I never had the pleasure to review a single of the many papers published by Zaccai, in a field, which I have created, and although he constantly used and misused my ideas. He could succeed only by excluding expertise. During the last 10 years bioneutron scattering came under the control of the Hans Frauenfelder network and his energy landscape paradigm. This can be deduced from any citation list of insider papers. Most HF papers are completely unrelated to neutron scattering, until recently. The top thing is that Frauenfelder now questions even well established scattering theory, because it seems not compatible with his ELM. Why he is wrong and to argue against other nonsense, I critically review a small selection of his and other publications which are flawed in my view. It is not clever to ride a dead horse. Anyway this is a modest attempt to reestablish a dead scientific discussion. The money wasted with these big machines for meaningless science is enormous.
Comments to:

posted Dec. 8 2017
2017: the Frauenfelder zero Q elastic scattering effect is due to multiple scattering

The role of momentum transfer during incoherent neutron scattering is explained by the energy landscape model
by H. Frauenfelder, R.D. Young, P.W. Fenimore PNAS vol 114, 5130(2017).


posted Dec. 2 2017
2014:The Protein Energy Landscape, a Case against Scattering Theory

Wave mechanical model of incoherent quasielastic in complex systems by Hans Frauenfelder, Paul Fenimore and Robert Young, PNAS , 111, 12764 (2014).
Wuttke Letter
Doster Comment

posted Nov. 30 2017

2013: The Mössbauer Model of Quasi-elastic Neutron Scattering
Dynamics and Free Energy Landscape of Proteins, explored with the Mössbauer effect and quasi-elastic neutron scattering by Frauenfelder, Young and Fenimore, J.Phys.Chem.117 13301-

posted Dec. 8 2017
2015: Dynamical Heterogeneity Models

Motional Displacement in Proteins, origin of wavevector-dependent values
by D. Vural, L. Hong, J. Smith, H. R. Glyde, Phys.Rev. E. 91 052705(2015).

2015: Spurious Pressure Effects on Protein Dynamics

Influence of Pressure and Crowding on the Subnanosecond Dynamics of Globular Proteins, by M. Erlkamp, J. Marion, N. Martinez, C. Czeslik, J. Peters and R. Winter J.Phys.Chem B 119 4842(2015). Comment

2014: The Freeze Drying Glass Transition in Dry Proteins

Does a dry protein undergo a glass transition by A. Frontzek, S. Strokov, ,J. Embs and S. Lushnikov J.Phys.Chem B 118(11) 2791-2802(2014). Comment

2012/3: Two step scenario of the protein dynamical transition

Change of caged dynamics of hydrated proteins by Capaccioli, Ngai, Ancherbak, Paciaroni, J. Chem.Phys. 138 (2013) 235102. Comment

Evidence of coexistence of change of caged dynamics.. by Capaccioli, Ngai, Paciaroni, J.Phys. Chem. B 116 (2012) 1745. Comment rejected by Editor of JPCB

2011: The RENS puzzle

Elastic incoherent neutron scattering operating by varying instrumental energy resolution: Principle, simulations, and experiments of the resolution elastic neutron scattering (RENS) S. Magazu, F. Migliardo, A. Benedetto Review of Scientific Instruments 82 (10), 105115 (2011)
nearly identical: Magazu, Migliardo, Benedetto, Vertessy in Chemical Physics 424(2013)26: Protein dynamics and neutron scattering..

Protein dynamical transition at 110 K, by C. Kim, M. Tate and S. Gruner PNAS 108, 20897 (2011) Comment

2011: The Frauenfelder Mössbauer effect and the PDT
Mössbauer effect in proteins, Young, Frauenfelder, Fenimore, PRL(2011)107, 158102 Comment

2008: Elliptical protein phase diagrams
Pressure and temperature dependent protein stability by Widersich, Skerra, Köhler, Friedrich, PNAS 105, 575 (2008) Comment

2006: Instrumental resolution effects interpreted as a fragile-strong crossover
Observation of fragile to strong dynamic cross-over of protein hydration water by S.H. Chen, L.Liu, E. Fratini, P. Bagliaoni, A. Faraone and E. Mamontov, PNAS USA 103, 9012 (2006) Comment

2004: Frauenfelders alpha/beta relaxation
Bulk solvent and hydration shell fluctuations by Fenimore, Frauenfelder, Mc Mahon, Young PNAS USA (2004)101,14408 Comment

2003: Hydrogen Distributions
Hydrogen atoms in proteins, Engler, Ostermann, Nijmura, Parak, PNAS USA (2003)100,10243 Comment

2002: Slaving II
Solvent fluctuations dominate protein dynamics and function by Fenimore, Frauenfelder, Mc Mahon, Parak, PNAS USA (2002)99,16047 Comment

2002: Confined water and the two simple explanation
A model for water motion in crystals of lysozyme based on an incoherent quasi-elastic neutron scattering study by C.Bon, A.J. Dianoux, M. Ferrand and M.S. Lehmann, Biophys. J. 83( 2002) 1578 Comment

The protein dynamical transition may have a simple explanantion
by M. R. Daniel, J. Finney and J. Smith, Faraday Discussion (2002) 122,163

2000: Protein force constants from elastic displacements?
How soft is a protein? A protein dynamics force constant measured by neutron scattering by J. Zaccai, Science 288,1604( 2000) Comment

1998: Dynamic labelling of different functional parts of BR
by V. Reat, H. Patzelt, M. Ferrand, C. Pfister, D. Oesterhelt, G. Zaccai PNAS 95(1998)4970 Comment
1998: Activity below the transition?
Enzyme Activity below the Protein Dynamical Transition at 220K by R. Daniel, J.Smith, M. Ferrand, S. Hery, R. Dunn, J. Finney, Biophys. J. 75 (1998) 2504 Comment

1993: Melting of a frozen protein solution
Thermal motion and function of bacteriorhodopsin in purple membrane, effect of temperature and hydration observed by neutron scattering by M. Ferrand, A. Dianoux, W. Petry an G. Zaccai, PNAS 90, 9668 (1993)communicated by Hans Frauenfelder. Comment

1992: Confined water (I):
Single particle dynamics of hydration water in protein, M.C. Bellissent-Funel, J. Teixera, J.F. Bradley, S.H. Chen and L. Crespi, Physica B 181 &181, 740 (1992). Comment

1991: Review Article on MD Simulation and Experiments
Protein Dynamics: comparison of simulations with inelastic neutron scattering experiments, by J. Smith, Quat. Rev. Biophys.24 (1991), 227 Comment
1991: Frauenfelders Energy Landscape
The energy landscapes and motions in proteins, H. Frauenfelder, S. Sligar and P. Wolynes, Science 254 (1991) 1598 Comment

1990: Vacuum simulation of a hydrated protein
Dynamics of myoglobin: comparison of simulation results with neutron scattering spectra, by J. Smith, K. Kuczera and M. Karplus, PNAS USA (1990)87, 1601. Comment

The temperature dependence of dynamics of hydrated myoglobin, comparison of force field calculations with neutron scattering data by R. Loncharich and B. Brooks, J. Mol. Biol. (1990)215, 439,

1989: first spectral analysis of protein dynamics:
Dynamical transition of myoglobin revealed by inelastic neutron scattering, W. Doster, W. Petry and S. Cusack, Nature 337,754(1989)

Internal dynamics of globular proteins, comparison of neutron scattering measurements and theoretical models by J. Smith, K. Kuczera, B. Tidor, W. Doster, S.Cusack and M. Karplus, Physica B(1989) 156, 437.

1982: Ligand Binding to Hexokinase
Inelastic neutron scattering analysis of hexokinase dynamics and its modification on binding of glucose by B. Jacrot, S. Cusack, A. Dianoux and D. Engelman, Nature 300 (1982)84

1980/1996: spurious oscillations of hydration water jump rate
Molecular dynamics of hydrated proteins, H. Middendorf, J. Randall and A. J. Leadbetter, Phil. Trans. R. Soc. Lond.B. (1980) 290, 639. and Middendorf, Phys. B. 226, 113 (1996)

last changes: Nov. 29th, 2017