Year |
Citation |
Score |
2023 |
Yao W, Li Y, Ma D, Hou X, Wang H, Tang X, Cheng D, Zhang H, Du C, Pan H, Li C, Lin H, Sun M, Ding Q, Wang Y, et al. Evolution of SARS-CoV-2 Spikes shapes their binding affinities to animal ACE2 orthologs. Microbiology Spectrum. e0267623. PMID 37943512 DOI: 10.1128/spectrum.02676-23 |
0.421 |
|
2023 |
Olivieri C, Wang Y, Walker C, Subrahmanian MV, Ha KN, Bernlohr DA, Gao J, Camilloni C, Vendruscolo M, Taylor SS, Veglia G. The αC-β4 loop controls the allosteric cooperativity between nucleotide and substrate in the catalytic subunit of protein kinase A. Biorxiv : the Preprint Server For Biology. PMID 37745542 DOI: 10.1101/2023.09.12.557419 |
0.492 |
|
2023 |
Ruan M, Li H, Zhang Y, Zhao R, Zhang J, Wang Y, Gao J, Wang Z, Wang Y, Sun D, Ding W, Weng Y. Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation. Nature Plants. PMID 37653340 DOI: 10.1038/s41477-023-01500-2 |
0.484 |
|
2023 |
Ju M, Chen Z, Zhu H, Cai R, Lin Z, Chen Y, Wang Y, Gao J, Long X, Yang S. Fe(III) Docking-Activated Sites in Layered Birnessite for Efficient Water Oxidation. Journal of the American Chemical Society. 145: 11215-11226. PMID 37173623 DOI: 10.1021/jacs.3c01181 |
0.426 |
|
2022 |
Hou X, Gao J, Wang Y. Epistatic Variations in the Omicron Receptor Binding Domain Can Enhance Host Recognition: An Assessment and Prediction. The Journal of Physical Chemistry Letters. 13: 8808-8815. PMID 36106917 DOI: 10.1021/acs.jpclett.2c02209 |
0.468 |
|
2021 |
Zhou S, Wang Y, Gao J. Solvation Induction of Free Energy Barriers of Decarboxylation Reactions in Aqueous Solution from Dual-Level QM/MM Simulations. Jacs Au. 1: 233-244. PMID 34467287 DOI: 10.1021/jacsau.0c00110 |
0.472 |
|
2021 |
Walker C, Wang Y, Olivieri C, V S M, Gao J, Bernlohr DA, Calebiro D, Taylor SS, Veglia G. Is disrupted nucleotide-substrate cooperativity a common trait for Cushing's syndrome driving mutations of protein kinase A? Journal of Molecular Biology. 167123. PMID 34224748 DOI: 10.1016/j.jmb.2021.167123 |
0.464 |
|
2021 |
Walker C, Wang Y, Olivieri C, V S M, Gao J, Bernlohr DA, Calebiro D, Taylor SS, Veglia G. Is disrupted nucleotide-substrate cooperativity a common trait for Cushing's syndrome driving mutations of protein kinase A? Journal of Molecular Biology. 167123. PMID 34224748 DOI: 10.1016/j.jmb.2021.167123 |
0.464 |
|
2021 |
Wang Y, Veglia G, Zhong D, Gao J. Activation mechanism of cryptochrome through an allosteric switch. Science Advances. 7. PMID 34144991 DOI: 10.1126/sciadv.abg3815 |
0.477 |
|
2021 |
Wang Y, Veglia G, Zhong D, Gao J. Activation mechanism of cryptochrome through an allosteric switch. Science Advances. 7. PMID 34144991 DOI: 10.1126/sciadv.abg3815 |
0.477 |
|
2020 |
Li H, Wang Y, Ye M, Li S, Li D, Ren H, Wang M, Du L, Li H, Veglia G, Gao J, Weng Y. Dynamical and allosteric regulation of photoprotection in light harvesting complex II. Science China. Chemistry. 63: 1121-1133. PMID 33163014 DOI: 10.1007/S11426-020-9771-2 |
0.524 |
|
2020 |
Tang J, Wang Y, Zhou H, Ye Y, Talukdar M, Fu Z, Liu Z, Li J, Neculai D, Gao J, Huang H. Sunitinib inhibits RNase L by destabilizing its active dimer conformation. The Biochemical Journal. PMID 32830849 DOI: 10.1042/BCJ20200260 |
0.43 |
|
2020 |
Yang D, Zhu W, Wang Y, Tan F, Ma Z, Gao J, Lin X. Selection of mutant µplasmin for amyloid-β cleavage in vivo. Scientific Reports. 10: 12117. PMID 32694536 DOI: 10.1038/S41598-020-69079-8 |
0.408 |
|
2020 |
Wang Y, Liu M, Gao J. Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and hydrophobic interactions. Proceedings of the National Academy of Sciences of the United States of America. PMID 32503918 DOI: 10.1073/Pnas.2008209117 |
0.534 |
|
2020 |
Olivieri C, Wang Y, Li GC, Subrahmanian MV, Kim J, Stultz BR, Neibergall M, Porcelli F, Muretta JM, T Thomas DD, Gao J, Blumenthal DK, Taylor SS, Veglia G. Multi-state recognition pathway of the intrinsically disordered protein kinase inhibitor by protein kinase A. Elife. 9. PMID 32338601 DOI: 10.7554/Elife.55607 |
0.533 |
|
2020 |
Olivieri C, Wang Y, Li GC, S MV, Kim J, Stultz BR, Neibergall M, Porcelli F, Muretta JM, Thomas DD, Gao J, Blumenthal DK, Taylor SS, Veglia G. Author response: Multi-state recognition pathway of the intrinsically disordered protein kinase inhibitor by protein kinase A Elife. DOI: 10.7554/Elife.55607.Sa2 |
0.494 |
|
2019 |
Walker C, Wang Y, Olivieri C, Karamafrooz A, Casby J, Bathon K, Calebiro D, Gao J, Bernlohr DA, Taylor SS, Veglia G. Cushing's syndrome driver mutation disrupts protein kinase A allosteric network, altering both regulation and substrate specificity. Science Advances. 5: eaaw9298. PMID 31489371 DOI: 10.1126/Sciadv.Aaw9298 |
0.534 |
|
2019 |
Wang Y, V S M, Kim J, Li G, Ahuja LG, Aoto P, Taylor SS, Veglia G. Globally correlated conformational entropy underlies positive and negative cooperativity in a kinase's enzymatic cycle. Nature Communications. 10: 799. PMID 30778078 DOI: 10.1038/S41467-019-08655-7 |
0.332 |
|
2018 |
Tomasini MD, Wang Y, Karamafrooz A, Li G, Beuming T, Gao J, Taylor SS, Veglia G, Simon SM. Conformational Landscape of the PRKACA-DNAJB1 Chimeric Kinase, the Driver for Fibrolamellar Hepatocellular Carcinoma. Scientific Reports. 8: 720. PMID 29335433 DOI: 10.1038/S41598-017-18956-W |
0.531 |
|
2018 |
Wang Y, Kim J, Olivieri C, Gao J, Veglia G. Inactivation Mechanism of Protein Kinase a Revealed by Markov Model Biophysical Journal. 114: 190a. DOI: 10.1016/J.Bpj.2017.11.1062 |
0.514 |
|
2017 |
Wang Y, Camilloni C, Kim J, Vendruscolo M, Gao J, Veglia G. Characterization of Protein Kinase a Free Energy Landscape by NMR-Restrained Metadynamics Biophysical Journal. 112: 50a. DOI: 10.1016/J.Bpj.2016.11.310 |
0.567 |
|
2016 |
Wang Y, Cembran A, Gao J, Veglia G, Taylor SS, Simon SM. Molecular Dynamics Simulation and Markov State Model Reveal Irregular Metastable Conformation and Allostery In DNAJB-PKAc Biophysical Journal. 110: 51a-52a. DOI: 10.1016/J.Bpj.2015.11.343 |
0.543 |
|
2015 |
Wang Y, Gao J. Projected hybrid orbitals: a general QM/MM method. The Journal of Physical Chemistry. B. 119: 1213-24. PMID 25317748 DOI: 10.1021/Jp507983U |
0.485 |
|
2014 |
Liu M, Wang Y, Chen Y, Field MJ, Gao J. QM/MM through the 1990s: The First Twenty Years of Method Development and Applications. Israel Journal of Chemistry. 54: 1250-1263. PMID 29386687 DOI: 10.1002/Ijch.201400036 |
0.5 |
|
2014 |
Gao J, Truhlar DG, Wang Y, Mazack MJ, Löffler P, Provorse MR, Rehak P. Explicit polarization: a quantum mechanical framework for developing next generation force fields. Accounts of Chemical Research. 47: 2837-45. PMID 25098651 DOI: 10.1021/Ar5002186 |
0.663 |
|
2013 |
Isegawa M, Fiedler L, Leverentz HR, Wang Y, Nachimuthu S, Gao J, Truhlar DG. Polarized Molecular Orbital Model Chemistry 3. The PMO Method Extended to Organic Chemistry. Journal of Chemical Theory and Computation. 9: 33-45. PMID 23704835 DOI: 10.1021/Ct300509D |
0.721 |
|
2012 |
Wang Y, Sosa CP, Cembran A, Truhlar DG, Gao J. Multilevel X-Pol: a fragment-based method with mixed quantum mechanical representations of different fragments. The Journal of Physical Chemistry. B. 116: 6781-8. PMID 22428657 DOI: 10.1021/Jp212399G |
0.54 |
|
2012 |
Gao J, Wang Y. Communication: variational many-body expansion: accounting for exchange repulsion, charge delocalization, and dispersion in the fragment-based explicit polarization method. The Journal of Chemical Physics. 136: 071101. PMID 22360228 DOI: 10.1063/1.3688232 |
0.564 |
|
2010 |
Cembran A, Bao P, Wang Y, Song L, Truhlar DG, Gao J. On the Interfragment Exchange in the X-Pol Method. Journal of Chemical Theory and Computation. 6: 2469-2476. PMID 20730021 DOI: 10.1021/Ct100268P |
0.655 |
|
2009 |
Yang W, Qian Z, Miao Q, Wang Y, Bi S. Density functional theory study of the aluminium(III) hydrolysis in aqueous solution. Physical Chemistry Chemical Physics : Pccp. 11: 2396-401. PMID 19325971 DOI: 10.1039/B819484J |
0.326 |
|
2009 |
Qian Z, Feng H, Zhang Z, Yang W, Wang M, Wang Y, Bi S. Theoretical exploration of the water exchange mechanism of the polyoxocation GaO4Al12(OH)24(H2O)127+ in aqueous solution Geochimica Et Cosmochimica Acta. 73: 1588-1596. DOI: 10.1016/J.Gca.2008.12.017 |
0.318 |
|
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