Molecular modelling of tanning processes

Journal of the Society of Leather Technologists and Chemists

Volumn 82, Issue 1, 1998, Pages 5-10

  Fennen, J ^a  

^a TFL Leather Technology Ltd   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; COMPUTER SIMULATION; COMPUTER SOFTWARE; COMPUTERS; LEATHER; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULES;

ATOMIC MODEL; DENSITY FUNCTIONAL THEORY METHOD; MOLECULAR MODELLING;

TANNING;

EID: 0031711311     PISSN: 01440322     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (7)

1. Brown, E. M. and King, G., Use of computer-generated models in studies of modified collagen, J. Amer. Leather Chem. Ass., 1996, 91, 161.
2. CHARMm, Version 23.1, Molecular Simulations Inc., Burlington MA, 1995.
3. Chen, J. M., Feairheller, H. and Brown, E. M., Three-dimensional-energy minimized models for calf skin type I collagen triple helix and microfibril: I. The triple helical models. J. Amer. Leather Chem. Ass., 1991, 86, 475.
4. Chen, J. M., Feairheller, H. and Brown, E. M., Three-dimensional-energy minimized models for calf skin type I collagen triple helix and microfibril: II. The 'Smith' microfibril, J. Amer. Leather Chem. Ass., 1991, 86, 487.
5. Frisch, M. J., Trucks, G. W., Schlegel, H. B. et al., Gaussian 92/DFT, Revision G.3, Gaussian, Inc., Pittsburgh PA, 1993.
6. Heidemann, E., Practical and theoretical aspects of tanning. In: Heidemann, E., Fundamentals of Leather Manufacturing, 1st edition, Darmstadt, Eduard Roether. (1993) 288.
7. King, G., Brown, E. M. and Chen, J. M., Computer model of a bovine type 1 collagen microfibril, Protein Engineering, 1996, 9, 43.