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51

Eckart axis conditions, Gauss’ principle of least constraint, and the optimal superposition of molecular structures

Kneller, Gerald R.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 240 KB

english, 2008

52

General framework for constraints in molecular dynamics simulations

Kneller, Gerald R.

Journal:

Molecular Physics

Year:

2017

Language:

english

File:

PDF, 647 KB

english, 2017

53

Communication: Probing anomalous diffusion in frequency space

Stachura, Sławomir, Kneller, Gerald R.

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.69 MB

english, 2015

54

Communication: Consistent picture of lateral subdiffusion in lipid bilayers: Molecular dynamics simulation and exact results

Kneller, Gerald R., Baczynski, Krzysztof, Pasenkiewicz-Gierula, Marta

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 911 KB

english, 2011

55

AIP Conference Proceedings [AIP Neutrons and numerical methods - Grenoble (France) (Deceember, 1998)] - Analysis of low-frequency motions in proteins by computer simulation and neutron scattering

Kneller, Gerald R., Hinsen, Konrad

Year:

1999

Language:

english

File:

PDF, 500 KB

english, 1999

56

Franck–Condon picture of incoherent neutron scattering

Kneller, Gerald R.

Journal:

Proceedings of the National Academy of Sciences

Year:

2018

Language:

english

File:

PDF, 876 KB

english, 2018

57

Role of effective atomic masses in memory function-based models for liquids: A simulation study of liquid water

Calandrini, Vania, Sutmann, Godehard, Deriu, Antonio, Kneller, Gerald R.

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 176 KB

english, 2006

58

Communication: A multiscale Bayesian inference approach to analyzing subdiffusion in particle trajectories

Hinsen, Konrad, Kneller, Gerald R.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 948 KB

english, 2016

59

Memory effects in a random walk description of protein structure ensembles

Kneller, Gerald R., Hinsen, Konrad

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.06 MB

2019

60

Reply to Doster: Franck–Condon and Van Hove formulation of quasielastic neutron scattering from complex systems

Kneller, Gerald R.

Journal:

Proceedings of the National Academy of Sciences

Year:

2019

Language:

english

File:

PDF, 503 KB

english, 2019

61

Reply to Doster: Franck–Condon and Van Hove formulation of quasielastic neutron scattering from complex systems

Kneller, Gerald R.

Journal:

Proceedings of the National Academy of Sciences

Year:

2019

File:

PDF, 503 KB

2019

62

Asymptotic analysis of quasielastic neutron scattering data from human acetylcholinesterase reveals subtle dynamical changes upon ligand binding

Saouessi, Melek, Peters, Judith, Kneller, Gerald R.

Journal:

The Journal of Chemical Physics

Year:

2019

File:

PDF, 1.00 MB

2019

63

Frequency domain modeling of quasielastic neutron scattering from hydrated protein powders: Application to free and inhibited human acetylcholinesterase

Saouessi, Melek, Peters, Judith, Kneller, Gerald R.

Journal:

The Journal of Chemical Physics

Year:

2019

Language:

english

File:

PDF, 1.62 MB

english, 2019

64

Weak self-similarity of the MittagâLeffler relaxation function

Kneller, Gerald R, Saouessi, Melek

Journal:

Journal of Physics A Mathematical and Theoretical

Year:

2020

File:

PDF, 510 KB

2020