| Year |
Citation |
Score |
| 2017 |
Sanschagrin P. Using the CSD Python API for interactive analytics and data mining of the Cambridge Structural Database Acta Crystallographica Section a Foundations and Advances. 73: a67-a67. DOI: 10.1107/S0108767317099330 |
0.303 |
|
| 2009 |
Sotriffer CA, Sanschagrin P, Matter H, Klebe G. SFCscore: scoring functions for affinity prediction of protein-ligand complexes. Proteins. 73: 395-419. PMID 18442132 DOI: 10.1002/Prot.22058 |
0.337 |
|
| 2008 |
Rao S, Sanschagrin PC, Greenwood JR, Repasky MP, Sherman W, Farid R. Improving database enrichment through ensemble docking. Journal of Computer-Aided Molecular Design. 22: 621-7. PMID 18253700 DOI: 10.1007/S10822-008-9182-Y |
0.363 |
|
| 2007 |
Block P, Paern J, Hüllermeier E, Sanschagrin P, Sotriffer CA, Klebe G. Physicochemical descriptors to discriminate protein-protein interactions in permanent and transient complexes selected by means of machine learning algorithms. Proteins. 65: 607-22. PMID 16955490 DOI: 10.1002/Prot.21104 |
0.344 |
|
| 2006 |
Friesner RA, Murphy RB, Repasky MP, Frye LL, Greenwood JR, Halgren TA, Sanschagrin PC, Mainz DT. Extra precision glide: docking and scoring incorporating a model of hydrophobic enclosure for protein-ligand complexes. Journal of Medicinal Chemistry. 49: 6177-96. PMID 17034125 DOI: 10.1021/Jm051256O |
0.464 |
|
| 2002 |
Zavodszky MI, Sanschagrin PC, Korde RS, Kuhn LA. Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening. Journal of Computer-Aided Molecular Design. 16: 883-902. PMID 12825621 DOI: 10.1023/A:1023866311551 |
0.63 |
|
| 2000 |
Zavodszky MI, Sanschagrin PC, Kuhn LA. Induced fit in database screening Journal of Molecular Graphics and Modelling. 18: 558. DOI: 10.1016/S1093-3263(00)80142-4 |
0.597 |
|
| 1999 |
Fan L, Sanschagrin PC, Kaguni LS, Kuhn LA. The accessory subunit of mtDNA polymerase shares structural homology with aminoacyl-tRNA synthetases: implications for a dual role as a primer recognition factor and processivity clamp. Proceedings of the National Academy of Sciences of the United States of America. 96: 9527-32. PMID 10449726 DOI: 10.1073/Pnas.96.17.9527 |
0.493 |
|
| 1998 |
Sanschagrin PC, Kuhn LA. Cluster analysis of consensus water sites in thrombin and trypsin shows conservation between serine proteases and contributions to ligand specificity. Protein Science : a Publication of the Protein Society. 7: 2054-64. PMID 9792092 DOI: 10.1002/Pro.5560071002 |
0.549 |
|
| 1998 |
Craig L, Sanschagrin PC, Rozek A, Lackie S, Kuhn LA, Scott JK. The role of structure in antibody cross-reactivity between peptides and folded proteins. Journal of Molecular Biology. 281: 183-201. PMID 9680484 DOI: 10.1006/Jmbi.1998.1907 |
0.531 |
|
| 1997 |
Raymer ML, Sanschagrin PC, Punch WF, Venkataraman S, Goodman ED, Kuhn LA. Predicting conserved water-mediated and polar ligand interactions in proteins using a K-nearest-neighbors genetic algorithm. Journal of Molecular Biology. 265: 445-64. PMID 9034363 DOI: 10.1006/Jmbi.1996.0746 |
0.599 |
|
| 1996 |
Kuhn LA, Raymer ML, Punch WF, Sanschagrin PC, Goodman ED. Predicting and analyzing determinants of water-mediated ligand recognition Acta Crystallographica Section a Foundations of Crystallography. 52: C87-C87. DOI: 10.1107/S0108767396095621 |
0.565 |
|
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