Tautomerization-dependent recognition and excision of oxidation damage in base-excision DNA repair C Zhu, L Lu, J Zhang, Z Yue, J Song, S Zong, M Liu, O Stovicek, YQ Gao, ... Proceedings of the National Academy of Sciences 113 (28), 7792-7797, 2016 | 64 | 2016 |
From thermodynamics to kinetics: Enhanced sampling of rare events L Yang, CW Liu, Q Shao, J Zhang, YQ Gao Accounts of chemical research 48 (4), 947-955, 2015 | 64 | 2015 |
Direct Oxidation of Aliphatic C–H Bonds in Amino-Containing Molecules under Transition-Metal-Free Conditions X Li, X Che, GH Chen, J Zhang, JL Yan, YF Zhang, LS Zhang, CP Hsu, ... Organic letters 18 (6), 1234-1237, 2016 | 42 | 2016 |
Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling YI Yang, J Zhang, X Che, L Yang, YQ Gao The Journal of Chemical Physics 144 (9), 2016 | 35 | 2016 |
Dynamics and kinetics study of “In-Water” chemical reactions by enhanced sampling of reactive trajectories J Zhang, YI Yang, L Yang, YQ Gao The Journal of Physical Chemistry B 119 (45), 14505-14514, 2015 | 28 | 2015 |
DNA structural correlation in short and long ranges C Gu, J Zhang, YI Yang, X Chen, H Ge, Y Sun, X Su, L Yang, S Xie, ... The Journal of Physical Chemistry B 119 (44), 13980-13990, 2015 | 23 | 2015 |
Conformational preadjustment in aqueous claisen rearrangement revealed by SITS-QM/MM MD simulations J Zhang, YI Yang, L Yang, YQ Gao The Journal of Physical Chemistry B 119 (17), 5518-5530, 2015 | 22 | 2015 |
Rich dynamics underlying solution reactions revealed by sampling and data mining of reactive trajectories J Zhang, Z Zhang, YI Yang, S Liu, L Yang, YQ Gao ACS central science 3 (5), 407-414, 2017 | 20 | 2017 |
Single mutations reshape the structural correlation network of the DMXAA–human STING complex X Che, XX Du, X Cai, J Zhang, WJ Xie, Z Long, ZY Ye, H Zhang, L Yang, ... The Journal of Physical Chemistry B 121 (9), 2073-2082, 2017 | 16 | 2017 |
Structural flexibility and conformation features of cyclic dinucleotides in aqueous solutions X Che, J Zhang, Y Zhu, L Yang, H Quan, YQ Gao The Journal of Physical Chemistry B 120 (10), 2670-2680, 2016 | 12 | 2016 |
Structural Characteristics of Homogeneous Hydrophobic Ionic Liquid–HNO3–H2O Ternary System: Experimental Studies and Molecular Dynamics Simulations J Fu, YI Yang, J Zhang, Q Chen, X Shen, YQ Gao The Journal of Physical Chemistry B 120 (23), 5194-5202, 2016 | 10 | 2016 |
Simulation studies of protein and small molecule interactions and reaction L Yang, J Zhang, X Che, YQ Gao Methods in Enzymology 578, 169-212, 2016 | 4 | 2016 |