| Year |
Citation |
Score |
| 1991 |
Shirley WA, Petersson GA. The convergence of coupled-cluster methods for Be2 Chemical Physics Letters. 181: 588-590. DOI: 10.1016/0009-2614(91)80319-S |
0.449 |
|
| 1989 |
Petersson GA, Shirley WA. The beryllium dimer potential Chemical Physics Letters. 160: 494-501. DOI: 10.1016/0009-2614(89)80052-1 |
0.404 |
|
| 1988 |
Petersson GA, Bennett A, Tensfeldt TG, Al-Laham MA, Shirley WA, Mantzaris J. A complete basis set model chemistry. I. The total energies of closed-shell atoms and hydrides of the first-row elements The Journal of Chemical Physics. 89: 2193-2218. DOI: 10.1063/1.455064 |
0.459 |
|
| 1988 |
PETERSSON GA, BENNETT A, TENSFELDT TG, AL-LAHAM MA, SHIRLEY WA, MANTZARIS J. ChemInform Abstract: A Complete Basis Set Model Chemistry. Part 1. The Total Energies of Closed-Shell Atoms and Hydrides of the First-Row Elements Cheminform. 19. DOI: 10.1002/CHIN.198845003 |
0.429 |
|
| Low-probability matches (unlikely to be authored by this person) |
| 2006 |
Baber JC, Shirley WA, Gao Y, Feher M. The use of consensus scoring in ligand-based virtual screening. Journal of Chemical Information and Modeling. 46: 277-88. PMID 16426063 DOI: 10.1021/ci050296y |
0.146 |
|
| 2019 |
Lu Y, Anand S, Shirley W, Gedeck P, Kelley B, Skolnik S, Rodde S, Nguyen M, Lindvall MK, Jia W. Prediction of pKa Using Machine Learning Methods with Rooted Topological Torsion Fingerprints: Application to Aliphatic Amines. Journal of Chemical Information and Modeling. PMID 31647238 DOI: 10.1021/acs.jcim.9b00498 |
0.146 |
|
| 2006 |
Baber JC, Shirley WA, Gao Y, Feher M. The use of consensus scoring in ligand-based virtual screening Journal of Chemical Information and Modeling. 46: 277-288. DOI: 10.1021/ci050296y |
0.146 |
|
| 2003 |
Shirley WM, Scoville SP, Merwin LH. (Arene)tricarbonylchromium complexes synthesized on NaX zeolite: solid-state NMR and DRIFTS studies. Inorganic Chemistry. 42: 358-64. PMID 12693215 |
0.103 |
|
| 1997 |
Shirley WA, Brooks CL. Curious structure in "canonical" alanine-based peptides. Proteins. 28: 59-71. PMID 9144791 DOI: 10.1002/(Sici)1097-0134(199705)28:1<59::Aid-Prot6>3.0.Co;2-E |
0.08 |
|
| 2021 |
Hu J, Zanca F, McManus GJ, Riha IA, Nguyen HGT, Shirley W, Borcik CG, Wylie BJ, Benamara M, van Zee RD, Moghadam PZ, Beyzavi H. Catalyst-Enabled Linkage Reduction in Imine Covalent Organic Frameworks. Acs Applied Materials & Interfaces. PMID 33913321 DOI: 10.1021/acsami.1c02709 |
0.047 |
|
| 1995 |
Shirley WA, Hoffmann R, Mastryukov VS. An Approach to Understanding Bond Length/Bond Angle Relationships The Journal of Physical Chemistry. 99: 4025-4033. DOI: 10.1021/J100012A024 |
0.046 |
|
| 2020 |
Hu J, Zanca F, Lambe P, Tsuji M, Wijeweera S, Todisco S, Mastrorilli P, Shirley W, Benamara M, Moghadam PZ, Beyzavi MH. (Thio)urea-Based Covalent Organic Framework as a Hydrogen-Bond-Donating Catalyst. Acs Applied Materials & Interfaces. PMID 32511903 DOI: 10.1021/acsami.0c04957 |
0.035 |
|
| 2007 |
Mesleh MF, Shirley WA, Heise CE, Ling N, Maki RA, Laura RP. NMR structural characterization of a minimal peptide antagonist bound to the extracellular domain of the corticotropin-releasing factor1 receptor. The Journal of Biological Chemistry. 282: 6338-46. PMID 17192263 DOI: 10.1074/Jbc.M609816200 |
0.035 |
|
| 1998 |
SHIRLEY WA. Linear Water: Would We be Swimming in it? The Chemical Educator. 3: 1-13. DOI: 10.1007/S00897980248A |
0.032 |
|
| 2008 |
Feher M, Gao Y, Baber JC, Shirley WA, Saunders J. The use of ligand-based de novo design for scaffold hopping and sidechain optimization: Two case studies Bioorganic and Medicinal Chemistry. 16: 422-427. PMID 17920281 DOI: 10.1016/j.bmc.2007.09.026 |
0.03 |
|
| 2000 |
Beroza P, Bradley EK, Eksterowicz JE, Feinstein R, Greene J, Grootenhuis PD, Henne RM, Mount J, Shirley WA, Smellie A, Stanton RV, Spellmeyer DC. Applications of random sampling to virtual screening of combinatorial libraries. Journal of Molecular Graphics & Modelling. 18: 335-42. PMID 11143553 DOI: 10.1016/S1093-3263(00)00059-0 |
0.016 |
|
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