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Yi Isaac Yang, Ph.D. - Publications

2006-2010 School of Materials Science and Engineering Shandong University, Jinan Shi, Shandong Sheng, China 
 2010-2015 College of Chemistry and Molecular Engineering Peking University, Beijing, Beijing Shi, China 
 2016-2019 Department of Chemistry and Applied Biosciences ETH Zürich, Zürich, ZH, Switzerland 
 2019- Institute of Systems Biology Shenzhen Bay Laboratory 
Theoretical Chemistry

45 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Zhang J, Lei YK, Zhang Z, Chang J, Li M, Han X, Yang L, Yang YI, Gao YQ. A Perspective on Deep Learning for Molecular Modeling and Simulations. The Journal of Physical Chemistry. A. PMID 32786668 DOI: 10.1021/acs.jpca.0c04473  1
2020 Zhang J, Lei YK, Zhang Z, Chang J, Li M, Han X, Yang L, Yang YI, Gao YQ. A Perspective on Deep Learning for Molecular Modeling and Simulations. The Journal of Physical Chemistry. B. PMID 32663004 DOI: 10.1021/acs.jpcb.0c04473  1
2019 Zhang J, Yang YI, Noé F. Targeted Adversarial Learning Optimized Sampling. The Journal of Physical Chemistry Letters. PMID 31522495 DOI: 10.1021/acs.jpclett.9b02173  1
2019 Zhang J, Lei YK, Che X, Zhang Z, Yang YI, Gao YQ. Deep Representation Learning for Complex Free-Energy Landscapes. The Journal of Physical Chemistry Letters. 5571-5576. PMID 31476868 DOI: 10.1021/acs.jpclett.9b02012  1
2019 Yang YI, Shao Q, Zhang J, Yang L, Gao YQ. Enhanced sampling in molecular dynamics. The Journal of Chemical Physics. 151: 070902. PMID 31438687 DOI: 10.1063/1.5109531  1
2019 Niu H, Yang YI, Parrinello M. Temperature Dependence of Homogeneous Nucleation in Ice. Physical Review Letters. 122: 245501. PMID 31322390 DOI: 10.1103/PhysRevLett.122.245501  1
2018 Yang YI, Niu H, Parrinello M. Combining Metadynamics and Integrated Tempering Sampling. The Journal of Physical Chemistry Letters. 6426-6430. PMID 30354148 DOI: 10.1021/acs.jpclett.8b03005  1
2018 Yang YI, Parrinello M. Refining Collective Coordinates and Improving Free Energy Representation in Variational Enhanced Sampling. Journal of Chemical Theory and Computation. PMID 29715017 DOI: 10.1021/acs.jctc.8b00231  1
2017 Zhang J, Zhang Z, Yang YI, Liu S, Yang L, Gao YQ. Rich Dynamics Underlying Solution Reactions Revealed by Sampling and Data Mining of Reactive Trajectories. Acs Central Science. 3: 407-414. PMID 28573202 DOI: 10.1021/acscentsci.7b00037  1
2017 Zheng T, Hou Y, Zhang P, Zhang Z, Xu Y, Zhang L, Niu L, Yang Y, Liang D, Yi F, Peng W, Feng W, Yang Y, Chen J, Zhu YY, et al. Profiling single-guide RNA specificity reveals a mismatch sensitive core sequence. Scientific Reports. 7: 40638. PMID 28098181 DOI: 10.1038/srep40638  1
2016 Zhao Y, Yang Y, Li B, Yang L, Lu Q, Gong Y, Yang J, Zhang Z. [CEMENTLESS TOTAL HIP ARTHROPLASTY FOR TREATMENT OF Crowe TYPE Ⅲ DEVELOPMENTAL DYSPLASIA OF HIP IN ADULTS]. Zhongguo Xiu Fu Chong Jian Wai Ke Za Zhi = Zhongguo Xiufu Chongjian Waike Zazhi = Chinese Journal of Reparative and Reconstructive Surgery. 30: 947-950. PMID 29786222 DOI: 10.7507/1002-1892.20160192  1
2016 Yang Y, Song H, He D, Zhang S, Dai S, Lin S, Meng R, Wang C, Chen PR. Genetically encoded protein photocrosslinker with a transferable mass spectrometry-identifiable label. Nature Communications. 7: 12299. PMID 27460181 DOI: 10.1038/ncomms12299  0.32
2016 Pei H, Yang Y, Cui L, Yang J, Li X, Yang Y, Duan H. Bisdemethoxycurcumin inhibits ovarian cancer via reducing oxidative stress mediated MMPs expressions. Scientific Reports. 6: 28773. PMID 27349797 DOI: 10.1038/srep28773  0.4
2016 Fu J, Yang YI, Zhang J, Chen Q, Shen X, Gao YQ. Structural Characteristics of Homogeneous Hydrophobic Ionic Liquid-HNO3-H2O Ternary System: Experimental Studies and Molecular Dynamics Simulations. The Journal of Physical Chemistry. B. PMID 27196811 DOI: 10.1021/acs.jpcb.6b01214  1
2016 Yang YI, Zhang J, Che X, Yang L, Gao YQ. Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling. The Journal of Chemical Physics. 144: 094105. PMID 26957155 DOI: 10.1063/1.4943004  1
2016 Yang Y, Xu Y, Han B, Xu B, Liu X, Yan Z. Effects of synthetic conditions on the textural structure of pseudo-boehmite. Journal of Colloid and Interface Science. 469: 1-7. PMID 26855078 DOI: 10.1016/j.jcis.2016.01.053  0.56
2016 Yang Y, Qi S, Wang D, Wang K, Zhu L, Chai T, Wang C. Toxic effects of thifluzamide on zebrafish (Danio rerio). Journal of Hazardous Materials. 307: 127-136. PMID 26780700 DOI: 10.1016/j.jhazmat.2015.12.055  0.32
2016 Han X, Yang Y. Relativistic Chern-Simons-Higgs vortex equations Transactions of the American Mathematical Society. 368: 3565-3590. DOI: 10.1090/tran/6746  0.36
2016 Niu M, Wang X, Yang Y, Hou W, Dai J, Liu X, Xu B. The structure of microencapsulated carbon microspheres and its flame retardancy in poly(ethylene terephthalate) Progress in Organic Coatings. 95: 79-84. DOI: 10.1016/j.porgcoat.2016.03.002  0.56
2016 Ye X, Huang X, Hou D, Wu D, Li Q, Luo Y, You W, Yang Y. Improved luminescence properties of Sc0.73Y0.2VO4: Eu0.073+ phosphor by codoping with Bi3+, PO43- and BO33- Physica B: Condensed Matter. 487: 8-12. DOI: 10.1016/j.physb.2016.01.022  0.56
2016 Mao Y, Yang Y, Zeng Y, Han J, Yang H, Chen G, Mao D. A facile and green method for synthesis of dumbbell-like Ag3C6H5O7 microstructures as a platform for SERS detection Materials Letters. 170: 97-100. DOI: 10.1016/j.matlet.2016.02.013  0.52
2016 Shi B, Wang YP, Du X, Cooper JR, Li P, Li ML, Yang Y. Field and theoretical investigation of sediment mass fluxes on an accretional coastal mudflat Journal of Hydro-Environment Research. 11: 75-90. DOI: 10.1016/j.jher.2016.01.002  0.32
2016 Han J, Yang Y, Huang X, Yuen TH, Li J, Cao J. Accountable mobile E-commerce scheme via identity-based plaintext-checkable encryption Information Sciences. 345: 143-155. DOI: 10.1016/j.ins.2016.01.045  0.52
2016 Zhong Q, Yang Y, Jiang T, Li Q, Xu B. Xylene activation of coal tar pitch binding characteristics for production of metallurgical quality briquettes from coke breeze Fuel Processing Technology. 148: 12-18. DOI: 10.1016/j.fuproc.2016.02.026  0.56
2016 Zhao J, Zhou C, He C, Dai Y, Jia X, Yang Y. Efficient dehydration of fructose to 5-hydroxymethylfurfural over sulfonated carbon sphere solid acid catalysts Catalysis Today. 264: 123-130. DOI: 10.1016/j.cattod.2015.07.005  0.32
2016 Monzon O, Yang Y, Li Q, Alvarez PJJ. Quorum sensing autoinducers enhance biofilm formation and power production in a hypersaline microbial fuel cell Biochemical Engineering Journal. 109: 222-227. DOI: 10.1016/j.bej.2016.01.023  0.56
2016 Wang X, Yuan S, Shi D, Yang Y, Jiang T, Yan S, Shi H, Luan S, Yin J. Integrated antifouling and bactericidal polymer membranes through bioinspired polydopamine/poly(N-vinyl pyrrolidone) coating Applied Surface Science. 375: 9-18. DOI: 10.1016/j.apsusc.2016.01.198  0.56
2016 Zhou C, Guo Z, Dai Y, Jia X, Yu H, Yang Y. Promoting role of bismuth on carbon nanotube supported platinum catalysts in aqueous phase aerobic oxidation of benzyl alcohol Applied Catalysis B: Environmental. 181: 118-126. DOI: 10.1016/j.apcatb.2015.07.048  0.32
2015 Jin G, Zhao J, Yang YI, Liu K, Jiang Y, Zhang X, Zhang Y, Huang Y, Lu J, Dong Z. JAK/STAT3 signaling pathway mediates endothelial-like differentiation of immature dendritic cells. Oncology Letters. 10: 3471-3477. PMID 26788152 DOI: 10.3892/ol.2015.3752  0.32
2015 Xie WJ, Yang YI, Gao YQ. Dual reorientation relaxation routes of water molecules in oxyanion's hydration shell: A molecular geometry perspective. The Journal of Chemical Physics. 143: 224504. PMID 26671387 DOI: 10.1063/1.4937361  1
2015 Zhang J, Yang YI, Yang L, Gao YQ. Dynamics and Kinetics Study of "In-Water" Chemical Reactions by Enhanced Sampling of Reactive Trajectories. The Journal of Physical Chemistry. B. PMID 26485567 DOI: 10.1021/acs.jpcb.5b08690  1
2015 Gu C, Zhang J, Yang YI, Chen X, Ge H, Sun Y, Su X, Yang L, Xie XS, Gao YQ. DNA Structural Correlation in Short and Long Ranges. The Journal of Physical Chemistry. B. PMID 26439165 DOI: 10.1021/acs.jpcb.5b06217  1
2015 Jiang B, Li S, Liu W, Yang Y, Chen W, He D, Cheng X, Wang Z, Chen W, Wang C. Inhibitive activities detection of monoamine oxidases (MAO) A and B inhibitors in human liver MAO incubations by UPLC-ESI-MS/MS. Journal of Pharmaceutical and Biomedical Analysis. 115: 283-291. PMID 26263056 DOI: 10.1016/j.jpba.2015.07.029  0.32
2015 Zhang J, Yang YI, Yang L, Gao YQ. Conformational Preadjustment in Aqueous Claisen Rearrangement Revealed by SITS-QM/MM MD Simulations. The Journal of Physical Chemistry. B. 119: 5518-30. PMID 25849201 DOI: 10.1021/jp511057f  1
2015 Yang YI, Gao YQ. Computer simulation studies of Aβ37-42 aggregation thermodynamics and kinetics in water and salt solution. The Journal of Physical Chemistry. B. 119: 662-70. PMID 24861904 DOI: 10.1021/jp502169b  1
2015 Hu Z, Zhu Y, Xu J, Wang J, Yang Y. Distributed weighted sum-rate maximization with multi-cell uplink-downlink throughput duality Eurasip Journal On Advances in Signal Processing. 2015. DOI: 10.1186/s13634-015-0213-2  0.32
2015 Liu C, Niu Y, Zhou X, Zheng X, Wang S, Guo Q, Li Y, Li M, Li J, Yang Y, Ding Y, Lamont RJ, Xu X. Streptococcus mutans copes with heat stress by multiple transcriptional regulons modulating virulence and energy metabolism Scientific Reports. 5. DOI: 10.1038/srep12929  0.36
2015 Gou G, Zhang M, Chen H, Chen J, Li P, Yang YP. Effect of humidity on porosity, microstructure, and fatigue strength of A7N01S-T5 aluminum alloy welded joints in high-speed trains Materials and Design. 85: 309-317. DOI: 10.1016/j.matdes.2015.06.177  0.32
2015 Jing M, Wang C, Hou H, Wu Z, Zhu Y, Yang Y, Jia X, Zhang Y, Ji X. Ultrafine nickel oxide quantum dots enbedded with few-layer exfoliative graphene for an asymmetric supercapacitor: Enhanced capacitances by alternating voltage Journal of Power Sources. 298: 241-248. DOI: 10.1016/j.jpowsour.2015.08.039  0.32
2015 Yang Y, Qin J, Chen W, Sui N, Chen H, Li M. Behavioral and pharmacological investigation of anxiety and maternal responsiveness of postpartum female rats in a pup elevated plus maze Behavioural Brain Research. 292: 414-427. DOI: 10.1016/j.bbr.2015.07.010  0.36
2015 Wu J, Hou H, Yang Y, Hu E. Annual performance of a solar aided coal-fired power generation system (SACPG) with various solar field areas and thermal energy storage capacity Applied Energy. 157: 123-133. DOI: 10.1016/j.apenergy.2015.08.022  0.32
2015 Sun X, Xiang N, Wang C, Yang S, Li X, Yang Y. Isolation and Functional Analysis of SpWOX13 from Stipa purpurea Plant Molecular Biology Reporter. 33: 1441-1450. DOI: 10.1007/s11105-014-0848-4  0.32
2015 Xue B, Niu M, Zhang Y, Wang X, Yang Y, Dai J. Characterization of the properties of flame retardant PET composites with different nano-carbons Gaofenzi Cailiao Kexue Yu Gongcheng/Polymeric Materials Science and Engineering. 31: 65-70.  0.32
2014 Tian H, Yang Y, Xie D, Cui YL, Mi WT, Zhang Y, Ren TL. Wafer-scale integration of graphene-based electronic, optoelectronic and electroacoustic devices. Scientific Reports. 4: 3598. PMID 24398542 DOI: 10.1038/srep03598  0.32
2013 Wang D, Tian H, Yang Y, Xie D, Ren TL, Zhang Y. Scalable and direct growth of graphene micro ribbons on dielectric substrates. Scientific Reports. 3: 1348. PMID 23443152 DOI: 10.1038/srep01348  0.32
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