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Title: Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)

Authors:
; ; ; ; ; ; ; ; ; ; ; ; ; ; ;  [1]
  1. Wurzburg
Publication Date:
Research Org.:
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
FOREIGN
OSTI Identifier:
1172413
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
New J. Chem.
Additional Journal Information:
Journal Volume: 39; Journal Issue: (3) ; 2015
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Shi, Ming W., Sobolev, Alexandre N., Schirmeister, Tanja, Engels, Bernd, Schmidt, Thomas C., Luger, Peter, Mebs, Stefan, Dittrich, Birger, Chen, Yu-Sheng, Bak, Joanna M., Jayatilaka, Dylan, Bond, Charles S., Turner, Michael J., Stewart, Scott G., Spackman, Mark A., Grabowsky, Simon, Freie), UC), Bremen), Hamburg), UWA), and JG-UM). Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c). United States: N. p., 2015. Web. doi:10.1039/C4NJ01503G.
Shi, Ming W., Sobolev, Alexandre N., Schirmeister, Tanja, Engels, Bernd, Schmidt, Thomas C., Luger, Peter, Mebs, Stefan, Dittrich, Birger, Chen, Yu-Sheng, Bak, Joanna M., Jayatilaka, Dylan, Bond, Charles S., Turner, Michael J., Stewart, Scott G., Spackman, Mark A., Grabowsky, Simon, Freie), UC), Bremen), Hamburg), UWA), & JG-UM). Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c). United States. https://doi.org/10.1039/C4NJ01503G
Shi, Ming W., Sobolev, Alexandre N., Schirmeister, Tanja, Engels, Bernd, Schmidt, Thomas C., Luger, Peter, Mebs, Stefan, Dittrich, Birger, Chen, Yu-Sheng, Bak, Joanna M., Jayatilaka, Dylan, Bond, Charles S., Turner, Michael J., Stewart, Scott G., Spackman, Mark A., Grabowsky, Simon, Freie), UC), Bremen), Hamburg), UWA), and JG-UM). 2015. "Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)". United States. https://doi.org/10.1039/C4NJ01503G. https://www.osti.gov/servlets/purl/1172413.
@article{osti_1172413,
title = {Electrostatic complementarity in pseudoreceptor modeling based on drug molecule crystal structures: the case of loxistatin acid (E64c)},
author = {Shi, Ming W. and Sobolev, Alexandre N. and Schirmeister, Tanja and Engels, Bernd and Schmidt, Thomas C. and Luger, Peter and Mebs, Stefan and Dittrich, Birger and Chen, Yu-Sheng and Bak, Joanna M. and Jayatilaka, Dylan and Bond, Charles S. and Turner, Michael J. and Stewart, Scott G. and Spackman, Mark A. and Grabowsky, Simon and Freie) and UC) and Bremen) and Hamburg) and UWA) and JG-UM)},
abstractNote = {},
doi = {10.1039/C4NJ01503G},
url = {https://www.osti.gov/biblio/1172413}, journal = {New J. Chem.},
number = (3) ; 2015,
volume = 39,
place = {United States},
year = {Fri Aug 21 00:00:00 EDT 2015},
month = {Fri Aug 21 00:00:00 EDT 2015}
}

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Cited by: 10 works
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Works referencing / citing this record:

Bridging Crystal Engineering and Drug Discovery by Utilizing Intermolecular Interactions and Molecular Shapes in Crystals
journal, November 2019


Approaching an experimental electron density model of the biologically active trans -epoxysuccinyl amide group-Substituent effects vs. crystal packing
journal, January 2017


Bridging Crystal Engineering and Drug Discovery by Utilizing Intermolecular Interactions and Molecular Shapes in Crystals
journal, August 2019