| Year |
Citation |
Score |
| 2015 |
Bertolini R, Goepfert C, Andrieu T, Nichols S, Walter MA, Frey FJ, McCammon JA, Frey BM. 18F-RB390: innovative ligand for imaging the T877A androgen receptor mutant in prostate cancer via positron emission tomography (PET). The Prostate. 75: 348-59. PMID 25358634 DOI: 10.1002/Pros.22919 |
0.398 |
|
| 2014 |
Miao Y, Nichols SE, McCammon JA. Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics. Physical Chemistry Chemical Physics : Pccp. 16: 6398-406. PMID 24445284 DOI: 10.1039/C3Cp53962H |
0.613 |
|
| 2014 |
Miao Y, Nichols SE, McCammon JA. Mapping of allosteric druggable sites in activation-associated conformers of the M2 muscarinic receptor. Chemical Biology & Drug Design. 83: 237-46. PMID 24112716 DOI: 10.1111/Cbdd.12233 |
0.641 |
|
| 2013 |
Miao Y, Nichols SE, Gasper PM, Metzger VT, McCammon JA. Activation and dynamic network of the M2 muscarinic receptor. Proceedings of the National Academy of Sciences of the United States of America. 110: 10982-7. PMID 23781107 DOI: 10.1073/pnas.1309755110 |
0.673 |
|
| 2013 |
Kim MO, Nichols SE, Wang Y, McCammon JA. Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC. Journal of Computer-Aided Molecular Design. 27: 235-46. PMID 23579613 DOI: 10.1007/S10822-013-9643-9 |
0.56 |
|
| 2013 |
Nichols SE, Hernández CX, Wang Y, McCammon JA. Structure-based network analysis of an evolved G protein-coupled receptor homodimer interface. Protein Science : a Publication of the Protein Society. 22: 745-54. PMID 23553730 DOI: 10.1002/Pro.2258 |
0.599 |
|
| 2012 |
Nichols SE, Swift RV, Amaro RE. Rational prediction with molecular dynamics for hit identification. Current Topics in Medicinal Chemistry. 12: 2002-12. PMID 23110535 DOI: 10.2174/156802612804910313 |
0.483 |
|
| 2012 |
Ortiz-Sanchez JM, Nichols SE, Sayyah J, Brown JH, McCammon JA, Grant BJ. Identification of potential small molecule binding pockets on Rho family GTPases. Plos One. 7: e40809. PMID 22815826 DOI: 10.1371/Journal.Pone.0040809 |
0.597 |
|
| 2012 |
Lawrenz M, Wereszczynski J, Ortiz-Sánchez JM, Nichols SE, McCammon JA. Thermodynamic integration to predict host-guest binding affinities. Journal of Computer-Aided Molecular Design. 26: 569-76. PMID 22350568 DOI: 10.1007/S10822-012-9542-5 |
0.511 |
|
| 2012 |
Nichols SE, Baron R, McCammon JA. On the use of molecular dynamics receptor conformations for virtual screening. Methods in Molecular Biology (Clifton, N.J.). 819: 93-103. PMID 22183532 DOI: 10.1007/978-1-61779-465-0_7 |
0.636 |
|
| 2012 |
Nichols SE, Wang Y, McCammon JA. Molecular Simulations Revealing Dynamics of a Chemokine Receptor Homodimer Biophysical Journal. 102: 513a. DOI: 10.1016/J.Bpj.2011.11.2808 |
0.624 |
|
| 2011 |
Andrieu T, Bertolini R, Nichols SE, Setoud R, Frey FJ, Baker ME, Frey BM. A novel steroidal antiandrogen targeting wild type and mutant androgen receptors. Biochemical Pharmacology. 82: 1651-62. PMID 21907706 DOI: 10.1016/J.Bcp.2011.08.020 |
0.437 |
|
| 2011 |
Nichols SE, Baron R, Ivetac A, McCammon JA. Predictive power of molecular dynamics receptor structures in virtual screening. Journal of Chemical Information and Modeling. 51: 1439-46. PMID 21534609 DOI: 10.1021/Ci200117N |
0.599 |
|
| 2009 |
Nichols SE, Domaoal RA, Thakur VV, Tirado-Rives J, Anderson KS, Jorgensen WL. Discovery of wild-type and Y181C mutant non-nucleoside HIV-1 reverse transcriptase inhibitors using virtual screening with multiple protein structures. Journal of Chemical Information and Modeling. 49: 1272-9. PMID 19374380 DOI: 10.1021/Ci900068K |
0.53 |
|
| 2009 |
Dasgupta T, Chitnumsub P, Kamchonwongpaisan S, Maneeruttanarungroj C, Nichols SE, Lyons TM, Tirado-Rives J, Jorgensen WL, Yuthavong Y, Anderson KS. Exploiting structural analysis, in silico screening, and serendipity to identify novel inhibitors of drug-resistant falciparum malaria. Acs Chemical Biology. 4: 29-40. PMID 19146480 DOI: 10.1021/Cb8002804 |
0.631 |
|
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