Sara E. Nichols, Ph.D.
Affiliations: | 2009 | Yale University, New Haven, CT |
Area:
computational chemistry and molecular designGoogle:
"Sara Nichols"Mean distance: 8.16 | S | N | B | C | P |
Parents
Sign in to add mentor| William L. Jorgensen | grad student | 2009 | Yale | |
| (High-throughput methods for computer -aided drug design pertaining to flexibility, selectivity and lipophilicity.) | ||||
| J. Andrew McCammon | post-doc | University of California at San Diego, Howard Hughes Medical Institute | ||
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Publications
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| Bertolini R, Goepfert C, Andrieu T, et al. (2015) 18F-RB390: innovative ligand for imaging the T877A androgen receptor mutant in prostate cancer via positron emission tomography (PET). The Prostate. 75: 348-59 |
| Miao Y, Nichols SE, McCammon JA. (2014) Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics. Physical Chemistry Chemical Physics : Pccp. 16: 6398-406 |
| Miao Y, Nichols SE, McCammon JA. (2014) Mapping of allosteric druggable sites in activation-associated conformers of the M2 muscarinic receptor. Chemical Biology & Drug Design. 83: 237-46 |
| Miao Y, Nichols SE, Gasper PM, et al. (2013) 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 |
| Kim MO, Nichols SE, Wang Y, et al. (2013) Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC. Journal of Computer-Aided Molecular Design. 27: 235-46 |
| Nichols SE, Hernández CX, Wang Y, et al. (2013) Structure-based network analysis of an evolved G protein-coupled receptor homodimer interface. Protein Science : a Publication of the Protein Society. 22: 745-54 |
| Nichols SE, Swift RV, Amaro RE. (2012) Rational prediction with molecular dynamics for hit identification. Current Topics in Medicinal Chemistry. 12: 2002-12 |
| Ortiz-Sanchez JM, Nichols SE, Sayyah J, et al. (2012) Identification of potential small molecule binding pockets on Rho family GTPases. Plos One. 7: e40809 |
| Lawrenz M, Wereszczynski J, Ortiz-Sánchez JM, et al. (2012) Thermodynamic integration to predict host-guest binding affinities. Journal of Computer-Aided Molecular Design. 26: 569-76 |
| Nichols SE, Baron R, McCammon JA. (2012) On the use of molecular dynamics receptor conformations for virtual screening. Methods in Molecular Biology (Clifton, N.J.). 819: 93-103 |