Index Catalog // ScholarsArchive@OSU

Start Over

Filtering by: Creator Kleywegt, Gerard J. Language English [eng] Commencement Year Unknown

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop

Creator:

Adams, Paul D., Aertgeerts, Kathleen, Bauer, Cary, Bell, Jeffrey A., Berman, Helen M., Bhat, Talapady N., Blaney, Jeff M., Bolton, Evan, Bricogne, Gerard, Brown, David, Burley, Stephen K., Case, David A., Clark, Kirk L., Darden, Tom, Emsley, Paul, Feher, Victoria A., Feng, Zukang, Groom, Colin R., Harris, Seth F., Hendle, Jorg, Holder, Thomas, Joachimiak, Andrzej, Kleywegt, Gerard J., Krojer, Tobias, Marcotrigiano, Joseph, Mark, Alan E., Markley, John L., Miller, Matthew, Minor, Wladek, Montelione, Gaetano T., Murshudov, Garib, Nakagawa, Atsushi, Nakamura, Haruki, Nicholls, Anthony, Nicklaus, Marc, Nolte, Robert T., Padyana, Anil K., Peishoff, Catherine E., Pieniazek, Susan, Read, Randy J., Shao, Chenghua, Sheriff, Steven, Smart, Oliver, Soisson, Stephen, Spurlino, John, Stouch, Terry, Svobodova, Radka, Tempel, Wolfram, Terwilliger, Thomas C., Tronrud, Dale, Velankar, Sameer, Ward, Suzanna C., Warren, Gregory L., Westbrook, John D., Williams, Pamela, Yang, Huanwang, and Young, Jasmine

Abstract:

Crystallographic studies of ligands bound to biological macromolecules (proteins and nucleic acids) represent an important source of information concerning drug-target interactions, providing atomic level insights into the physical chemistry of complex formation between macromolecules and ligands. Of the more than 115,000 entries extant in the Protein Data Bank (PDB) archive,...

Resource Type:

Article
Conformation-dependent backbone geometry restraints set a new standard for protein crystallographic refinement

Creator:

Moriarty, Nigel W., Tronrud, Dale E., Adams, Paul D., and Karplus, P. Andrew

Abstract:

Ideal values of bond angles and lengths used as external restraints are crucial for the successful refinement of protein crystal structures at all but the highest of resolutions. The restraints in common usage today have been designed based on the assumption that each type of bond or angle has a...

Resource Type:

Article

Full Text:

References 1 Watenpaugh K, Sieker L, Herriott J & Jensen L (1973) Refinement of the model of a protein

ScholarsArchive@OSU

Outcome of the First wwPDB/CCDC/D3R Ligand Validation Workshop

Conformation-dependent backbone geometry restraints set a new standard for protein crystallographic refinement

Limit your search

Creator

Date

Decade

Language

Peer Reviewed

Resource Type

Rights Statement

Search Constraints

Search Results

Limit your search