| Electronic Spin Moment As a Catalytic Descriptor for Fe Single-Atom Catalysts Supported on C2N W Zhong, Y Qiu, H Shen, X Wang, J Yuan, C Jia, S Bi, J Jiang Journal of the American Chemical Society 143 (11), 4405-4413, 2021 | 152 | 2021 |
| Molecular dynamics simulations of viral RNA polymerases link conserved and correlated motions of functional elements to fidelity IM Moustafa, H Shen, B Morton, CM Colina, CE Cameron Journal of molecular biology 410 (1), 159-181, 2011 | 91 | 2011 |
| Fast and accurate computation schemes for evaluating vibrational entropy of proteins B Xu, H Shen, X Zhu, G Li Journal of computational chemistry 32 (15), 3188-3193, 2011 | 89 | 2011 |
| Atom-Pair Catalysts Supported by N-Doped Graphene for the Nitrogen Reduction Reaction: d-Band Center-Based Descriptor T Deng, C Cen, H Shen, S Wang, J Guo, S Cai, M Deng The Journal of Physical Chemistry Letters 11 (15), 6320-6329, 2020 | 88 | 2020 |
| Coarse-Grained modeling of nucleic acids using anisotropic Gay–Berne and electric multipole potentials G Li, H Shen, D Zhang, Y Li, H Wang Journal of Chemical Theory and Computation 12 (2), 676-693, 2016 | 51 | 2016 |
| Anisotropic coarse-grained model for proteins based on Gay–Berne and electric multipole potentials H Shen, Y Li, P Ren, D Zhang, G Li Journal of chemical theory and computation 10 (2), 731-750, 2014 | 51 | 2014 |
| What is the role of motif D in the nucleotide incorporation catalyzed by the RNA-dependent RNA polymerase from poliovirus? H Shen, H Sun, G Li PLoS computational biology 8 (12), e1002851, 2012 | 49 | 2012 |
| An improved functional form for the temperature scaling factors of the components of the mesoscopic UNRES force field for simulations of protein structure and dynamics H Shen, A Liwo, HA Scheraga The Journal of Physical Chemistry B 113 (25), 8738-8744, 2009 | 44 | 2009 |
| Observations on the JWKB treatment of the quadratic barrier H Shen, HJ Silverstone Algebraic analysis of differential equations 237, 2008 | 43 | 2008 |
| Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent J Wu, X Zhen, H Shen, G Li, P Ren The Journal of chemical physics 135 (15), 2011 | 42 | 2011 |
| Toward rational design of dual-metal-site catalysts: catalytic descriptor exploration C Jia, Q Wang, J Yang, K Ye, X Li, W Zhong, H Shen, E Sharman, Y Luo, ... ACS catalysis 12 (6), 3420-3429, 2022 | 39 | 2022 |
| Hybrid Density Functional Theory Study of Native Defects and Nonmetal (C, N, S, and P) Doping in a Bi2WO6 Photocatalyst J Zhang, P Deng, M Deng, H Shen, Z Feng, H Li ACS omega 5 (45), 29081-29091, 2020 | 33 | 2020 |
| Liposomal nanohybrid cerasomes for mitochondria-targeted drug delivery Y Wang, B Wang, H Liao, X Song, H Wu, H Wang, H Shen, X Ma, M Tan Journal of materials chemistry B 3 (36), 7291-7299, 2015 | 33 | 2015 |
| Specific and sensitive fluorescence anisotropy sensing of guanine-quadruplex structures via a photoinduced electron transfer mechanism D Zhang, H Shen, G Li, B Zhao, A Yu, Q Zhao, H Wang Analytical chemistry 84 (18), 8088-8094, 2012 | 30 | 2012 |
| Exploring the proton conductance and drug resistance of BM2 channel through molecular dynamics simulations and free energy calculations at different pH conditions Y Zhang, H Shen, M Zhang, G Li The Journal of Physical Chemistry B 117 (4), 982-988, 2013 | 29 | 2013 |
| Exploring the dynamics of four RNA-dependent RNA polymerases by a coarse-grained model H Shen, IM Moustafa, CE Cameron, CM Colina The Journal of Physical Chemistry B 116 (50), 14515-14524, 2012 | 21 | 2012 |
| Coarse-grained model for water involving a virtual site M Deng, H Shen The Journal of Physical Chemistry B 120 (4), 733-739, 2016 | 20 | 2016 |
| A review of physics-based coarse-grained potentials for the simulations of protein structure and dynamics H Shen, Z Xia, G Li, P Ren Annual Reports in Computational Chemistry 8, 129-148, 2012 | 20 | 2012 |
| Effects of native defects and cerium impurity on the monoclinic BiVO 4 photocatalyst obtained via PBE+ U calculations J Zhang, X Chen, MS Deng, H Shen, H Li, J Ding Physical Chemistry Chemical Physics 22 (43), 25297-25305, 2020 | 17 | 2020 |
| Effect of cholesterol on membrane dipole potential: Atomistic and coarse-grained molecular dynamics simulations H Shen, M Deng, Z Wu, J Zhang, Y Zhang, C Gao, C Cen Journal of Chemical Theory and Computation 14 (7), 3780-3795, 2018 | 16 | 2018 |
