| Activation and dynamic network of the M2 muscarinic receptor Y Miao, SE Nichols, PM Gasper, VT Metzger, JA McCammon Proceedings of the National Academy of Sciences 110 (27), 10982-10987, 2013 | 240 | 2013 |
| Predictive Power of Molecular Dynamics Receptor Structures in Virtual Screening SE Nichols, R Baron, AD Ivetac, JA McCammon Journal of chemical information and modeling, 2011 | 107 | 2011 |
| Free energy landscape of G-protein coupled receptors, explored by accelerated molecular dynamics Y Miao, SE Nichols, JA McCammon Physical Chemistry Chemical Physics 16 (14), 6398-6406, 2014 | 85 | 2014 |
| Exploiting Structural Analysis, in Silico Screening, and Serendipity To Identify Novel Inhibitors of Drug-Resistant Falciparum Malaria T Dasgupta, P Chitnumsub, S Kamchonwongpaisan, ... ACS chemical biology 4 (1), 29-40, 2009 | 72 | 2009 |
| Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC MO Kim, SE Nichols, Y Wang, JA McCammon Journal of Computer-Aided Molecular Design, 1-12, 2013 | 59 | 2013 |
| Mapping of Allosteric Druggable Sites in Activation‐Associated Conformers of the M2 Muscarinic Receptor Y Miao, SE Nichols, JA McCammon Chemical biology & drug design 83 (2), 237-246, 2014 | 57 | 2014 |
| Discovery of wild-type and Y181C mutant non-nucleoside HIV-1 reverse transcriptase inhibitors using virtual screening with multiple protein structures SE Nichols, RA Domaoal, VV Thakur, J Tirado-Rives, KS Anderson, ... Journal of Chemical Information and Modeling 49 (5), 1272-1279, 2009 | 55 | 2009 |
| Thermodynamic integration to predict host-guest binding affinities M Lawrenz, J Wereszczynski, JM Ortiz-Sánchez, SE Nichols, ... Journal of Computer-Aided Molecular Design, 1-8, 2012 | 37 | 2012 |
| Discovery of Novel Inhibitors of HIV‐1 Reverse Transcriptase Through Virtual Screening of Experimental and Theoretical Ensembles A Ivetac, SE Swift, PL Boyer, A Diaz, J Naughton, JAT Young, SH Hughes, ... Chemical biology & drug design 83 (5), 521-531, 2014 | 28 | 2014 |
| Rational Prediction with Molecular Dynamics for Hit Identification SE Nichols, RV Swift, RE Amaro Current Topics in Medicinal Chemistry 12 (18), 2002-2012, 2012 | 25 | 2012 |
| On the use of molecular dynamics receptor conformations for virtual screening. SE Nichols, R Baron, JA McCammon Methods in Molecular Biology (Clifton, NJ) 819, 93, 2012 | 24 | 2012 |
| Identification of potential small molecule binding pockets on Rho family GTPases JM Ortiz-Sanchez, SE Nichols, J Sayyah, JH Brown, JA McCammon, ... PLoS One 7 (7), e40809, 2012 | 22 | 2012 |
| A novel steroidal antiandrogen targeting wild type and mutant androgen receptors T Andrieu, R Bertolini, SE Nichols, R Setoud, FJ Frey, ME Baker, BM Frey Biochemical pharmacology 82 (11), 1651-1662, 2011 | 15 | 2011 |
| Investigation of the conformational dynamics of the apo A2A adenosine receptor AD Caliman, SE Swift, Y Wang, Y Miao, JA McCammon Protein Science 24 (6), 1004-1012, 2015 | 12 | 2015 |
| A Brief Recent History of Women in Computational Chemistry at Vertex Pharmaceuticals G McGaughey, R Swett, S Swift, E Chudyk, K Wong Journal of chemical information and modeling 59 (5), 1693-1696, 2019 | 5 | 2019 |
| 18F‐RB390: Innovative ligand for imaging the T877A androgen receptor mutant in prostate cancer via positron emission tomography (PET) R Bertolini, C Goepfert, T Andrieu, S Nichols, MA Walter, FJ Frey, ... The Prostate 75 (4), 348-359, 2015 | 3 | 2015 |
| Methods of treatment for cystic fibrosis WO Patent 2020/102346Α1, 2020 | | 2020 |
| Modulators of Cystic Fibrosis Transmembrane Conductance Regulator, Pharmaceutical Compositions, Methods of Treatment, and Process for Making the Modulators US Patent App. 20190248809A1, 2019 | | 2019 |
| High-throughput methods for computer-aided drug design pertaining to flexibility, selectivity and lipophilicity SE Nichols Yale University, 2009 | | 2009 |
Prof. J. Andrew McCammonUniversity of California, San DiegoVerified email at ucsd.edu
