| Selective imaging and cancer cell death via pH switchable near-infrared fluorescence and photothermal effects J Zhang, Z Liu, P Lian, J Qian, X Li, L Wang, W Fu, L Chen, X Wei, ... Chemical Science, 11, 2016 | 103 | 2016 |
| Thermal Decomposition of the Solid Phase of Nitromethane: <?format ?>Ab Initio Molecular Dynamics Simulations J Chang, P Lian, DQ Wei, XR Chen, QM Zhang, ZZ Gong Physical review letters 105 (18), 188302, 2010 | 103 | 2010 |
| Quantum Chemical Calculation of pKas of Environmentally Relevant Functional Groups: Carboxylic Acids, Amines and Thiols in Aqueous Solution P Lian, RC Johnston, JM Parks, JC Smith The Journal of Physical Chemistry A, 2018 | 71 | 2018 |
| An allosteric mechanism inferred from molecular dynamics simulations on phospholamban pentamer in lipid membranes P Lian, DQ Wei, JF Wang, KC Chou PLoS One 6 (4), 2011 | 64 | 2011 |
| X-ray Structure of a Hg2+ Complex of Mercuric Reductase (MerA) and QM/MM Study of Hg2+ Transfer between the C-terminal and Buried Catalytic Site Cysteine Pairs P Lian, H Guo, D Riccardi, A Dong, JM Parks, Q Xu, EF Pai, SM Miller, ... Biochemistry, 2014 | 61* | 2014 |
| Emerging investigator series: Methylmercury Speciation and Dimethylmercury Production in Sulfidic Solutions CR Kanzler, P Lian, EL Trainer, X Yang, N Govind, JM Parks, A Graham Environmental Science: Processes & Impacts, 2018 | 27 | 2018 |
| Theoretical study on steric effects of DNA phosphorothioation: B-helical destabilization in Rp-phosphorothioated DNA YC Zhang, J Liang, P Lian, Y Han, Y Chen, L Bai, Z Wang, J Liang, ... The Journal of Physical Chemistry B 116 (35), 10639-10648, 2012 | 23 | 2012 |
| Molecular mechanism of the wake-promoting agent TAK-925 J Yin, Y Kang, AP McGrath, K Chapman, M Sjodt, E Kimura, A Okabe, ... Nature communications 13 (1), 2902, 2022 | 18 | 2022 |
| Quantum Chemical Approach for Calculating Stability Constants of Mercury Complexes D Devarajan, P Lian, SC Brooks, JM Parks, JC Smith ACS Earth and Space Chemistry, 2018 | 17 | 2018 |
| Tethered-Hopping Model for Protein-DNA Binding and Unbinding Based on Sox2-Oct1-Hoxb1 Ternary Complex Simulations P Lian, L Angela Liu, Y Shi, Y Bu, D Wei Biophysical journal 98 (7), 1285-1293, 2010 | 17 | 2010 |
| Higher-Affinity Agonists of 5-HT1AR Discovered through Tuning the Binding-Site Flexibility P Lian, L Li, C Geng, X Zhen, W Fu Journal of Chemical Information and Modeling, 2015 | 14 | 2015 |
| Car-Parrinello Molecular Dynamics/Molecular Mechanics (CPMD/MM) Simulation Study of Coupling and Uncoupling Mechanisms of Cytochrome P450cam P Lian, J Li, D Wang, DH Wei The Journal of Physical Chemistry B 117 (26), 7849–7856, 2013 | 14 | 2013 |
| A theoretical study on the mechanism of a superficial mutation inhibiting the enzymatic activity of CYP1A2 LN Ma, ZZ Du, P Lian*, DQ Wei Interdisciplinary sciences, computational life sciences 6 (1), 25, 2014 | 12 | 2014 |
| Computational studies on the substrate interactions of influenza A virus PB2 subunit YJ Wang, JF Wang, J Ping, Y Yu, Y Wang, P Lian, X Li, YX Li, P Hao Public Library of Science 7 (9), e44079, 2012 | 11 | 2012 |
| Catalytic mechanism and origin of high activity of cellulase TmCel12A at high temperature: a quantum mechanical/molecular mechanical study P Lian, HB Guo, JC Smith, DQ Wei, H Guo Cellulose, 1-13, 2013 | 10 | 2013 |
| Molecular mechanism of fatty acid activation of FFAR1 P Kumari, A Inoue, K Chapman, P Lian, DM Rosenbaum Proceedings of the National Academy of Sciences 120 (22), e2219569120, 2023 | 9 | 2023 |
| Thermostability Mechanism for the Hyperthermophilicity of Extremophile Cellulase TmCel12A: Implied from Molecular Dynamics Simulation P Lian, C Yuan, Q Xu, W Fu The Journal of Physical Chemistry B, 2016 | 7 | 2016 |
| A Minimal Membrane Metal Transport System: Dynamics and Energetics of mer Proteins H Hwang, A Hazel, P Lian, JC Smith, JC Gumbart, JM Parks Journal of computational chemistry 41 (6), 528-537, 2020 | 6 | 2020 |
| A Computational Perspective on Drug Discovery and Signal Transduction Mechanism of Dopamine and Serotonin Receptors in the Treatment of Schizophrenia P Lian, L Xu, C Geng, Y Qian, W Li, X Zhen, W Fu Current Pharmaceutical Biotechnology 15 (10), 916-926, 2014 | 6 | 2014 |
| The functional role of inherited CDKN2A variants in childhood acute lymphoblastic leukemia C Li, X Zhao, Y He, Z Li, J Qian, L Zhang, Q Ye, F Qiu, P Lian, M Qian, ... Pharmacogenetics and Genomics 32 (2), 43-50, 2022 | 4 | 2022 |