| Chemiluminescent probes for imaging H 2 S in living animals J Cao, R Lopez, JM Thacker, JY Moon, C Jiang, SNS Morris, JH Bauer, ... Chemical science 6 (3), 1979-1985, 2015 | 152 | 2015 |
| t-Distributed stochastic neighbor embedding method with the least information loss for macromolecular simulations H Zhou, F Wang, P Tao Journal of chemical theory and computation 14 (11), 5499-5510, 2018 | 96 | 2018 |
| Insights into key interactions between vancomycin and bacterial cell wall structures F Wang, H Zhou, OP Olademehin, SJ Kim, P Tao ACS omega 3 (1), 37-45, 2018 | 88 | 2018 |
| A toolkit to assist ONIOM calculations P Tao, HB Schlegel Journal of computational chemistry 31 (12), 2363-2369, 2010 | 71 | 2010 |
| Matrix metalloproteinase 2 inhibition: combined quantum mechanics and molecular mechanics studies of the inhibition mechanism of (4-phenoxyphenylsulfonyl) methylthiirane and … P Tao, JF Fisher, Q Shi, T Vreven, S Mobashery, HB Schlegel Biochemistry 48 (41), 9839-9847, 2009 | 69 | 2009 |
| UMAP as a dimensionality reduction tool for molecular dynamics simulations of biomacromolecules: A comparison study F Trozzi, X Wang, P Tao The Journal of Physical Chemistry B 125 (19), 5022-5034, 2021 | 68 | 2021 |
| Protein ligand docking based on empirical method for binding affinity estimation P Tao, L Lai Journal of computer-aided molecular design 15, 429-446, 2001 | 62 | 2001 |
| Photomodulated chiral induction in helical azobenzene oligomers ED King, P Tao, TT Sanan, CM Hadad, JR Parquette Organic Letters 10 (9), 1671-1674, 2008 | 60 | 2008 |
| Allosteric regulation at the crossroads of new technologies: multiscale modeling, networks, and machine learning GM Verkhivker, S Agajanian, G Hu, P Tao Frontiers in molecular biosciences 7, 136, 2020 | 58 | 2020 |
| Calculating partition coefficients of peptides by the addition method P Tao, R Wang, L Lai Molecular modeling annual 5, 189-195, 1999 | 57 | 1999 |
| PASSer: Prediction of allosteric sites server H Tian, X Jiang, P Tao Machine learning: science and technology 2 (3), 035015, 2021 | 54 | 2021 |
| Synthesis of l-Daunosamine and l-Ristosamine Glycosides via Photoinduced Aziridination. Conversion to Thioglycosides for Use in Glycosylation Reactions MT Mendlik, P Tao, CM Hadad, RS Coleman, TL Lowary The Journal of Organic Chemistry 71 (21), 8059-8070, 2006 | 49 | 2006 |
| Predicting potential SARS-COV-2 drugs—In depth drug database screening using deep neural network framework SSnet, classical virtual screening and docking N Karki, N Verma, F Trozzi, P Tao, E Kraka, B Zoltowski International Journal of Molecular Sciences 22 (4), 1573, 2021 | 45 | 2021 |
| ADMETboost: a web server for accurate ADMET prediction H Tian, R Ketkar, P Tao Journal of molecular modeling 28 (12), 408, 2022 | 41 | 2022 |
| Rigid residue scan simulations systematically reveal residue entropic roles in protein allostery R Kalescky, H Zhou, J Liu, P Tao PLoS computational biology 12 (4), e1004893, 2016 | 40 | 2016 |
| Identifying key residues for protein allostery through rigid residue scan R Kalescky, J Liu, P Tao The Journal of Physical Chemistry A 119 (9), 1689-1700, 2015 | 36 | 2015 |
| PASSer2. 0: accurate prediction of protein allosteric sites through automated machine learning S Xiao, H Tian, P Tao Frontiers in Molecular Biosciences 9, 879251, 2022 | 35 | 2022 |
| Explore protein conformational space with variational autoencoder H Tian, X Jiang, F Trozzi, S Xiao, EC Larson, P Tao Frontiers in molecular biosciences 8, 781635, 2021 | 33 | 2021 |
| Computational modeling of human paraoxonase 1: preparation of protein models, binding studies, and mechanistic insights TT Sanan, S Muthukrishnan, JM Beck, P Tao, CJ Hayes, TC Otto, ... Journal of Physical Organic Chemistry 23 (4), 357-369, 2010 | 33 | 2010 |
| An orbital-overlap complement to ligand and binding site electrostatic potential maps A Mehmood, SI Jones, P Tao, BG Janesko Journal of Chemical Information and Modeling 58 (9), 1836-1846, 2018 | 32 | 2018 |
Hongyu ZhouSouthern Methodist UniversityVerified email at smu.edu
