| New insights about HERG blockade obtained from protein modeling, potential energy mapping, and docking studies R Farid, T Day, RA Friesner, RA Pearlstein Bioorganic & medicinal chemistry 14 (9), 3160-3173, 2006 | 503 | 2006 |
| Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches RA Pearlstein, RJ Vaz, J Kang, XL Chen, M Preobrazhenskaya, ... Bioorganic & medicinal chemistry letters 13 (10), 1829-1835, 2003 | 300 | 2003 |
| Understanding the Structure−Activity Relationship of the Human Ether-a-go-go-Related Gene Cardiac K+ Channel. A Model for Bad Behavior R Pearlstein, R Vaz, D Rampe Journal of Medicinal Chemistry 46 (11), 2017-2022, 2003 | 210 | 2003 |
| Structure–kinetic relationships of passive membrane permeation from multiscale modeling CJ Dickson, V Hornak, RA Pearlstein, JS Duca Journal of the American Chemical Society 139 (1), 442-452, 2017 | 119 | 2017 |
| New hypotheses about the structure–function of proprotein convertase subtilisin/kexin type 9: Analysis of the epidermal growth factor‐like repeat A docking site using WaterMap RA Pearlstein, QY Hu, J Zhou, D Yowe, J Levell, B Dale, VK Kaushik, ... Proteins: Structure, Function, and Bioinformatics 78 (12), 2571-2586, 2010 | 91 | 2010 |
| A model of the lutropin/choriogonadotropin receptor: insights into the structural and functional effects of constitutively activating mutations. Z Lin, A Shenker, R Pearlstein Protein engineering 10 (5), 501-510, 1997 | 83 | 1997 |
| Contributions of water transfer energy to protein‐ligand association and dissociation barriers: Watermap analysis of a series of p38α MAP kinase inhibitors RA Pearlstein, W Sherman, R Abel Proteins: Structure, Function, and Bioinformatics 81 (9), 1509-1526, 2013 | 71 | 2013 |
| The translocation kinetics of antibiotics through porin OmpC: insights from structure‐based solvation mapping using WaterMap QT Tran, S Williams, R Farid, G Erdemli, R Pearlstein Proteins: Structure, Function, and Bioinformatics 81 (2), 291-299, 2013 | 60 | 2013 |
| Molecular modeling studies of aldose reductase inhibitors YS Lee, R Pearlstein, PF Kador Journal of medicinal chemistry 37 (6), 787-792, 1994 | 44 | 1994 |
| Comparative molecular field analysis of selective A3 adenosine receptor agonists SM Siddiqi, RA Pearlstein, LH Sanders, KA Jacobson Bioorganic & medicinal chemistry 3 (10), 1331-1343, 1995 | 38 | 1995 |
| Estimation of solvation entropy and enthalpy via analysis of water oxygen–hydrogen correlations C Velez-Vega, DJJ McKay, T Kurtzman, V Aravamuthan, RA Pearlstein, ... Journal of chemical theory and computation 11 (11), 5090-5102, 2015 | 37 | 2015 |
| Uncoupling the structure–activity relationships of β2 adrenergic receptor ligands from membrane binding CJ Dickson, V Hornak, C Velez-Vega, DJJ McKay, J Reilly, DA Sandham, ... Journal of medicinal chemistry 59 (12), 5780-5789, 2016 | 33 | 2016 |
| Time-averaged distributions of solute and solvent motions: exploring proton wires of GFP and PfM2DH C Velez-Vega, DJJ McKay, V Aravamuthan, R Pearlstein, JS Duca Journal of chemical information and modeling 54 (12), 3344-3361, 2014 | 33 | 2014 |
| Structure‐kinetic relationship of carbapenem antibacterials permeating through E. coli OmpC porin QT Tran, RA Pearlstein, S Williams, J Reilly, T Krucker, G Erdemli Proteins: Structure, Function, and Bioinformatics 82 (11), 2998-3012, 2014 | 33 | 2014 |
| Contributions of the membrane dipole potential to the function of voltage-gated cation channels and modulation by small molecule potentiators RA Pearlstein, CJ Dickson, V Hornak Biochimica et biophysica acta (BBA)-Biomembranes 1859 (2), 177-194, 2017 | 31 | 2017 |
| Implications of dynamic occupancy, binding kinetics, and channel gating kinetics for hERG blocker safety assessment and mitigation R A Pearlstein, K Andrew MacCannell, G Erdemli, S Yeola, G Helmlinger, ... Current Topics in Medicinal Chemistry 16 (16), 1792-1818, 2016 | 26 | 2016 |
| On how a myosin tryptophan may be perturbed. DB Bivin, S Kubota, R Pearlstein, MF Morales Proceedings of the National Academy of Sciences 90 (14), 6791-6795, 1993 | 22 | 1993 |
| Probing the dynamic structure-function and structure-free energy relationships of the corona virus main protease with Biodynamics theory H Wan, V Aravamuthan, RA Pearlstein bioRxiv, 2020 | 20 | 2020 |
| Toward in vivo-relevant hERG safety assessment and mitigation strategies based on relationships between non-equilibrium blocker binding, three-dimensional … H Wan, G Selvaggio, RA Pearlstein PLoS One 15 (11), e0234946, 2020 | 17 | 2020 |
| Biodynamics: A novel quasi-first principles theory on the fundamental mechanisms of cellular function/dysfunction and the pharmacological modulation thereof G Selvaggio, RA Pearlstein PLoS One 13 (11), e0202376, 2018 | 15 | 2018 |
Ramy FaridSchrödinger, Inc.在 schrodinger.com 的电子邮件经过验证
