| Engineering single‐atom cobalt catalysts toward improved electrocatalysis G Wan, P Yu, H Chen, J Wen, C Sun, H Zhou, N Zhang, Q Li, W Zhao, ... Small 14 (15), 1704319, 2018 | 114 | 2018 |
| GPCR-mediated β-arrestin activation deconvoluted with single-molecule precision WB Asher, DS Terry, GGA Gregorio, AW Kahsai, A Borgia, B Xie, A Modak, ... Cell 185 (10), 1661-1675. e16, 2022 | 48 | 2022 |
| Absolute binding free energies between T4 lysozyme and 141 small molecules: calculations based on multiple rigid receptor configurations B Xie, TH Nguyen, DDL Minh Journal of chemical theory and computation 13 (6), 2930-2944, 2017 | 32 | 2017 |
| Simple entropy terms for end-point binding free energy calculations WM Menzer, C Li, W Sun, B Xie, DDL Minh Journal of chemical theory and computation 14 (11), 6035-6049, 2018 | 29 | 2018 |
| Pharmacological characterization of the imipridone anticancer drug ONC201 reveals a negative allosteric mechanism of action at the D2 dopamine receptor RB Free, CA Cuoco, B Xie, Y Namkung, VV Prabhu, BKA Willette, ... Molecular Pharmacology 100 (4), 372-387, 2021 | 19 | 2021 |
| Chirality of novel bitopic agonists determines unique pharmacology at the dopamine D3 receptor P Adhikari, B Xie, A Semeano, A Bonifazi, FO Battiti, AH Newman, H Yano, ... Biomolecules 11 (4), 570, 2021 | 13 | 2021 |
| On the polarization of ligands by proteins SY Willow, B Xie, J Lawrence, RS Eisenberg, DDL Minh Physical Chemistry Chemical Physics 22 (21), 12044-12057, 2020 | 12 | 2020 |
| A comprehensive evaluation of the potential binding poses of fentanyl and its analogs at the µ-opioid receptor B Xie, A Goldberg, L Shi Computational and Structural Biotechnology Journal 20, 2309-2321, 2022 | 11 | 2022 |
| Efficiency of stratification for ensemble docking using reduced ensembles B Xie, JD Clark, DDL Minh Journal of chemical information and modeling 58 (9), 1915-1925, 2018 | 11 | 2018 |
| Identification of small molecule allosteric modulators of 5, 10-methylenetetrahydrofolate reductase (MTHFR) by targeting its unique regulatory domain GA Bezerra, A Holenstein, WR Foster, B Xie, KG Hicks, C Bürer, S Lutz, ... Biochimie 183, 100-107, 2021 | 10 | 2021 |
| On Restraints in End-Point Protein-Ligand Binding Free Energy Calculations W Menzer, B Xie, DDL Minh Biophysical Journal 116 (3), 47a, 2019 | 10 | 2019 |
| Alchemical grid dock (AlGDock) calculations in the D3R grand challenge 3: Binding free energies between flexible ligands and rigid receptors B Xie, DDL Minh Journal of computer-aided molecular design 33, 61-69, 2019 | 8 | 2019 |
| Binding preference at the μ-opioid receptor underlies distinct pharmacology of cyclopropyl versus valeryl analogs of fentanyl B Xie, VP Le Rouzic, A Goldberg, MHM Tsai, L Chen, T Zhang, A Sinha, ... Neuropharmacology 227, 109442, 2023 | 7 | 2023 |
| A journey through diastereomeric space: the design, synthesis, in vitro and in vivo pharmacological activity, and molecular modeling of novel potent diastereomeric MOR agonists … DR Chambers, A Sulima, D Luo, TE Prisinzano, A Goldberg, B Xie, L Shi, ... Molecules 27 (19), 6455, 2022 | 6 | 2022 |
| Role of Subunit D in Ubiquinone-Binding Site of Vibrio cholerae NQR: Pocket Flexibility and Inhibitor Resistance DA Raba, M Yuan, X Fang, WM Menzer, B Xie, P Liang, K Tuz, DDL Minh, ... ACS omega 4 (21), 19324-19331, 2019 | 6 | 2019 |
| Computational modeling of C-terminal tails to predict the calcium-dependent secretion of endoplasmic reticulum resident proteins KA Trychta, B Xie, RK Verma, M Xu, L Shi, BK Harvey Frontiers in Chemistry 9, 689608, 2021 | 4 | 2021 |
| A structural model for bax∆ 2-mediated activation of caspase 8-dependent apoptosis B Xie, Q Yao, J Xiang, DDL Minh International Journal of Molecular Sciences 21 (15), 5476, 2020 | 4 | 2020 |
| The molecular mechanism of positive allosteric modulation at the dopamine D1 receptor A Goldberg, B Xie, L Shi International Journal of Molecular Sciences 24 (16), 12848, 2023 | 1 | 2023 |
| On the Polarization of Ligands by Proteins S Yoo Willow, B Xie, J Lawrence, RS Eisenberg, DDL Minh arXiv e-prints, arXiv: 2001.08326, 2020 | | 2020 |
| Improving precision in absolute binding free energy calculations by increasing the number of alchemical intermediates B Xie, D Minh ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
David MinhIllinois Institute of TechnologyVerified email at iit.edu
