Error assessment in molecular dynamics trajectories using computed NMR chemical shifts

Por Koes, David R., Vries, John K.
Publicado no Comput Theor Chem (2016)

AnchorQuery: Rapid online virtual screening for small‐molecule protein–protein interaction inhibitors

Por Koes, David R., Dömling, Alexander, Camacho, Carlos J.
Publicado no Protein Sci (2017)

Threonine 89 Is an Important Residue of Profilin-1 That Is Phosphorylatable by Protein Kinase A

Por Gau, David, Veon, William, Zeng, Xuemei, Yates, Nathan, Shroff, Sanjeev G., Koes, David R., Roy, Partha
Publicado no PLoS One (2016)

Screening and In Vitro Testing of Antifolate Inhibitors of Human Cytosolic Serine Hydroxymethyltransferase

Por Paiardini, Alessandro, Fiascarelli, Alessio, Rinaldo, Serena, Daidone, Frederick, Giardina, Giorgio, Koes, David R., Parroni, Alessia, Montini, Giulia, Marani, Marina, Paone, Alessio, McDermott, Lee A., Contestabile, Roberto, Cutruzzolà, Francesca
Publicado no ChemMedChem (2015)

Improvements to the APBS biomolecular solvation software suite

Por Jurrus, Elizabeth, Engel, Dave, Star, Keith, Monson, Kyle, Brandi, Juan, Felberg, Lisa E., Brookes, David H., Wilson, Leighton, Chen, Jiahui, Liles, Karina, Chun, Minju, Li, Peter, Gohara, David W., Dolinsky, Todd, Konecny, Robert, Koes, David R., Nielsen, Jens Erik, Head‐Gordon, Teresa, Geng, Weihua, Krasny, Robert, Wei, Guo‐Wei, Holst, Michael J., McCammon, J. Andrew, Baker, Nathan A.
Publicado no Protein Sci (2017)