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 Results for DC.creator="E." AND DC.creator="Gallicchio" in section 18.10.3 of volume F
Automation of refinement tasks
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 18.10.3.3, p. 536 [ doi:10.1107/97809553602060000864 ]
Automation of refinement tasks 18.10.3.3. Automation of refinement tasks As well as executing through the graphical interface, most PrimeX tasks can be run through command-line execution, so these tasks can be easily integrated into workflows. Future development will be focused on combining multiple tasks and diagnostic information into larger automated ...

Molecular models consistent with X-ray data
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 18.10.3.2, pp. 535-536 [ doi:10.1107/97809553602060000864 ]
Molecular models consistent with X-ray data 18.10.3.2. Molecular models consistent with X-ray data All current programs for refinement of biological crystal structures employ geometric restraints that either originate with or are consistent with a survey of small-molecule structures by Engh & Huber (1991). Other geometric restraints for group ...

van der Waals interactions
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 18.10.3.1.3, p. 535 [ doi:10.1107/97809553602060000864 ]
van der Waals interactions 18.10.3.1.3. van der Waals interactions The full OPLS force field includes terms for repulsive and attractive non-bonded interactions. Most significant for restraints during crystallographic refinement is the utilization of the full repulsive term for non-bonded interactions, unlike other leading biological crystal structure refinement packages where ...

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 ]
... Acta Cryst. A47, 392-400. Knight, J. L., Zhou, Z., Gallicchio, E., Himmel, D. M., Friesner, R. A., Arnold, E. & Levy, R. M. (2008). Exploring structural variability in ...

Hydrogen atoms
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 18.10.3.1.1, p. 535 [ doi:10.1107/97809553602060000864 ]
Hydrogen atoms 18.10.3.1.1. Hydrogen atoms Although crystallographers have generally not included coordinates for hydrogen atoms in their models at moderate resolution, this situation has not always been so. During the early years of development of the very popular XPLOR package for refinement (Brünger, 1992), which was later augmented to become ...

Molecular models and computational chemistry
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 18.10.3.1, p. 535 [ doi:10.1107/97809553602060000864 ]
... Acta Cryst. D54, 905-921. Knight, J. L., Zhou, Z., Gallicchio, E., Himmel, D. M., Friesner, R. A., Arnold, E. & Levy, R. M. (2008). Exploring structural variability in ...

Electrostatics and implicit solvation
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 18.10.3.1.2, p. 535 [ doi:10.1107/97809553602060000864 ]
... PrimeX is in progress. References Knight, J. L., Zhou, Z., Gallicchio, E., Himmel, D. M., Friesner, R. A., Arnold, E. & Levy, R. M. (2008). Exploring structural variability in ...

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