Molecular-dynamics simulations of biological macromolecules
Post, C. B. and
Dadarlat, V. M.,
International Tables for Crystallography
(2012).
Vol. F,
ch. 20.2,
pp. 642-648
[ doi:10.1107/97809553602060000878 ]
flexibility of regions that are significant for its action in lactose synthase. Structure, 4, 691–703. Google Scholar
Post,
C.
B. (1992). Internal motional averaging and three-dimensional structure determination by NMR. J. Mol. Biol ...
Potential-energy function
Post, C. B. and
Dadarlat, V. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.2.3,
pp. 642-644
[ doi:10.1107/97809553602060000878 ]
[
more
results from section 20.2.3 in volume F]
Effect of crystallographic atomic resolution on structural stability during molecular dynamics
Post, C. B. and
Dadarlat, V. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.2.8,
pp. 645-647
[ doi:10.1107/97809553602060000878 ]
Assessment of the simulation procedure
Post, C. B. and
Dadarlat, V. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.2.7,
pp. 645-645
[ doi:10.1107/97809553602060000878 ]
of guinea-pig, goat and bovine α -lactalbumin highlight the enhanced conformational flexibility of regions that are significant for its action in lactose synthase. Structure, 4, 691–703. Google Scholar
Post,
C.
B., Dobson, C. M ...
Empirical parameterization of the force field
Post, C. B. and
Dadarlat, V. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.2.4,
pp. 644-644
[ doi:10.1107/97809553602060000878 ]
Introduction
Post, C. B. and
Dadarlat, V. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.2.1,
pp. 642-642
[ doi:10.1107/97809553602060000878 ]
Nature (London), 267, 585–590. Google Scholar
McCammon, J. A. & Harvey, S. C. (1987). Dynamics of Proteins and Nucleic Acids . Cambridge University Press. Google Scholar
Post,
C.
B., Brooks, B. R., Karplus, M ...
Modifications in the force field for structure determination
Post, C. B. and
Dadarlat, V. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.2.5,
pp. 644-644
[ doi:10.1107/97809553602060000878 ]
The simulation method
Post, C. B. and
Dadarlat, V. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.2.2,
pp. 642-642
[ doi:10.1107/97809553602060000878 ]
Internal dynamics and average structures
Post, C. B. and
Dadarlat, V. M.,
International Tables for Crystallography
(2012).
Vol. F,
Section 20.2.6,
pp. 644-645
[ doi:10.1107/97809553602060000878 ]
A., Levy, R. M. & Karplus, M. (1986). Effect of anisotropy and anharmonicity on protein crystallographic refinement: an evaluation by molecular dynamics. J. Mol. Biol. 190, 455–479. Google Scholar
Post,
C.
B. (1992). Internal ...
