| Ab initio quantum mechanical/molecular mechanical simulation of electron transfer process: Fractional electron approach X Zeng, H Hu, X Hu, AJ Cohen, W Yang The Journal of chemical physics 128 (12), 2008 | 77 | 2008 |
| Flipping of the ribosomal A-site adenines provides a basis for tRNA selection X Zeng, J Chugh, A Casiano-Negroni, HM Al-Hashimi, CL Brooks III Journal of molecular biology 426 (19), 3201-3213, 2014 | 50 | 2014 |
| Calculating solution redox free energies with ab initio quantum mechanical/molecular mechanical minimum free energy path method X Zeng, H Hu, X Hu, W Yang The Journal of chemical physics 130 (16), 2009 | 50 | 2009 |
| Full reconstruction of a vectorial protein folding pathway by atomic force microscopy and molecular dynamics simulations W Lee, X Zeng, HX Zhou, V Bennett, W Yang, PE Marszalek Journal of Biological Chemistry 285 (49), 38167-38172, 2010 | 49 | 2010 |
| Residue-level resolution of alphavirus envelope protein interactions in pH-dependent fusion X Zeng, S Mukhopadhyay, CL Brooks III Proceedings of the National Academy of Sciences 112 (7), 2034-2039, 2015 | 39 | 2015 |
| Mechanical anisotropy of ankyrin repeats W Lee, X Zeng, K Rotolo, M Yang, CJ Schofield, V Bennett, W Yang, ... Biophysical journal 102 (5), 1118-1126, 2012 | 26 | 2012 |
| Fragment-Based Quantum Mechanical/Molecular Mechanical Simulations of Thermodynamic and Kinetic Process of the Ru2+–Ru3+ Self-Exchange Electron … X Zeng, X Hu, W Yang Journal of chemical theory and computation 8 (12), 4960-4967, 2012 | 22 | 2012 |
| Accurate quantum mechanical/molecular mechanical calculations of reduction potentials in azurin variants L Shen, X Zeng, H Hu, X Hu, W Yang Journal of chemical theory and computation 14 (9), 4948-4957, 2018 | 19 | 2018 |
| Liquid water simulations with the density fragment interaction approach X Hu, Y Jin, X Zeng, H Hu, W Yang Physical Chemistry Chemical Physics 14 (21), 7700-7709, 2012 | 14 | 2012 |
| Equilibrium sampling for biomolecules under mechanical tension X Zeng, H Hu, HX Zhou, PE Marszalek, W Yang Biophysical journal 98 (4), 733-740, 2010 | 11 | 2010 |
| 3 Mechanics of Polysaccharides W Lee, PE Marszalek, X Zeng, W Yang Molecular Manipulation with Atomic Force Microscopy, 83, 2011 | 9 | 2011 |
| Multiscale Simulations of Biomolecules in Condensed Phase: from Solutions to Proteins X Zeng Duke University, 2010 | 1 | 2010 |
| Ab initio QM/MM calculation of electron transfer rate constant X Zeng, X Hu, H Hu, W Yang ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 241, 2011 | | 2011 |
| Density fragment interaction approach for condensed phase applications X Hu, Y Jin, X Zeng, H Hu, W Yang ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 241, 2011 | | 2011 |
| Full reconstruction of a vectorial protein folding pathway by atomic force microscopy and molecular dynamics simulations. W Lee, X Zeng, HX Zhou, V Bennett, W Yang, PE Marszalek Journal of Biological Chemistry 286 (10), 8708, 2011 | | 2011 |
| Full Reconstruction of a Vectorial Protein Folding Pathway by Afm and Smd: Insights Into the Co-Translational Folding of the Nascent-Polypeptide-Chain W Lee, X Zeng, HX Zhou, V Bennett, W Yang, P Marszalek Biophysical Journal 100 (3), 483a, 2011 | | 2011 |
| Calculating redox free energies in solution and protein with ab initio QM/MM minimum free energy path method X Zeng, H Hu, X Hu, W Yang ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 240, 2010 | | 2010 |
| Modeling co-translational folding of ribosome-nascent chain using AFM probe and computer simulations X Zeng, W Lee, HX Zhou, V Bennett, W Yang, PE Marszalek ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 240, 2010 | | 2010 |
| CARB 8-Simulation of force spectroscopy for polysaccharides with a replica-exchange method enhanced umbrella sampling approach X Zeng, H Hui, HX Zhou, P Marszalek, W Yang ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 238, 2009 | | 2009 |
| PHYS 124-QM/MM calculation of electron transfer process: Fractional number of electrons approach X Zeng, H Hu, W Yang ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 234, 2007 | | 2007 |
