PrimeX and the Schrödinger computational chemistry suite of programs
Bell, J.A.,
Cao, Y.,
Gunn, J.R.,
Day, T.,
Gallicchio, E.,
Zhou, Z.,
Levy, R. and
Farid, R.,
International Tables for Crystallography
(2012).
Vol. F,
ch. 18.10,
pp. 534-538
[ doi:10.1107/97809553602060000864 ]
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Computational environment
Bell, J.A.,
Cao, Y.,
Gunn, J.R.,
Day, T.,
Gallicchio, E.,
Zhou, Z.,
Levy, R. and
Farid, R.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.10.2,
pp. 534-535
[ doi:10.1107/97809553602060000864 ]
[
more
results from section 18.10.2 in volume F]
PrimeX implementation and theory
Bell, J.A.,
Cao, Y.,
Gunn, J.R.,
Day, T.,
Gallicchio, E.,
Zhou, Z.,
Levy, R. and
Farid, R.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.10.4,
pp. 536-538
[ doi:10.1107/97809553602060000864 ]
T., Maple, J. R., Murphy, R., Philipp, D. M., Repasky, M. P., Zhang, L. Y., Berne, B. J., Friesner, R. A.,
Gallicchio,
E. & Levy, R. M. (2005). Integrated Modeling Program, Applied Chemical Theory (IMPACT). J. Comput. Chem. 26, 1752–1780. Google ...
[
more
results from section 18.10.4 in volume F]
Achieving the mission of PrimeX
Bell, J.A.,
Cao, Y.,
Gunn, J.R.,
Day, T.,
Gallicchio, E.,
Zhou, Z.,
Levy, R. and
Farid, R.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.10.3,
pp. 535-536
[ doi:10.1107/97809553602060000864 ]
Z.,
Gallicchio,
E., Himmel, D. M., Friesner, R. A., Arnold, E. & Levy, R. M. (2008). Exploring structural variability in X-ray crystallographic models using protein local optimization by torsion-angle sampling. Acta Cryst. D 64, 383–396 ...
[
more
results from section 18.10.3 in volume F]
Introduction
Bell, J.A.,
Cao, Y.,
Gunn, J.R.,
Day, T.,
Gallicchio, E.,
Zhou, Z.,
Levy, R. and
Farid, R.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.10.1,
pp. 534-534
[ doi:10.1107/97809553602060000864 ]
[
more
results from section 18.10.1 in volume F]
Conclusion
Bell, J.A.,
Cao, Y.,
Gunn, J.R.,
Day, T.,
Gallicchio, E.,
Zhou, Z.,
Levy, R. and
Farid, R.,
International Tables for Crystallography
(2012).
Vol. F,
Section 18.10.5,
pp. 538-538
[ doi:10.1107/97809553602060000864 ]
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Knight, J. L., Zhou, Z.,
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E., Himmel, D. M., Friesner, R. A., Arnold, E. & Levy, R. M. (2008). Exploring structural variability in X-ray crystallographic ...
