Molecular-dynamics simulation of protein crystals: convergence of molecular properties of ubiquitin
Stocker, U. and
Gunsteren, W. F. van,
International Tables for Crystallography
(2012).
Vol. F,
ch. 20.1,
pp. 633-641
[ doi:10.1107/97809553602060000877 ]
249, 1149–1152. Google Scholar
Gunsteren,
W.
F.
van & Berendsen, H. J. C. (1990). Computer simulations of molecular dynamics: methodology, applications and perspectives in chemistry . Angew. Chem. Int. Ed. Engl. 29, 992–1023 ...
Methods
Stocker, U. and
Gunsteren, W. F. van,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.1.2,
pp. 633-634
[ doi:10.1107/97809553602060000877 ]
: a computer-based archival file for macromolecular structures . J. Mol. Biol. 112, 535–542. Google Scholar
Gunsteren,
W.
F.
van & Berendsen, H. J. C. (1990). Computer simulations of molecular dynamics: methodology, applications ...
Water diffusion
Stocker, U. and
Gunsteren, W. F. van,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.1.3.7,
pp. 640-640
[ doi:10.1107/97809553602060000877 ]
...
[
more
results from section 20.1.3 in volume F]
Introduction
Stocker, U. and
Gunsteren, W. F. van,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.1.1,
pp. 633-633
[ doi:10.1107/97809553602060000877 ]
Scholar
Gros, P., van Gunsteren, W. F. & Hol, W. G. J. (1990). Inclusion of thermal motion in crystallographic structures by restrained molecular dynamics . Science, 249, 1149–1152. Google Scholar
Gunsteren,
W.
F.
van ...
Conclusions
Stocker, U. and
Gunsteren, W. F. van,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.1.4,
pp. 640-640
[ doi:10.1107/97809553602060000877 ]
...
