| Recent advances in coarse-grained models for biomolecules and their applications N Singh, W Li International journal of molecular sciences 20 (15), 3774, 2019 | 84 | 2019 |
| Atomistic evidence of how force dynamically regulates thiol/disulfide exchange W Li, F Gräter Journal of the American Chemical Society 132 (47), 16790-16795, 2010 | 80 | 2010 |
| Diverse Asgard archaea including the novel phylum Gerdarchaeota participate in organic matter degradation M Cai, Y Liu, X Yin, Z Zhou, MW Friedrich, T Richter-Heitmann, R Nimzyk, ... Science China Life Sciences 63, 886-897, 2020 | 72 | 2020 |
| Recent developments in methods for identifying reaction coordinates W Li, A Ma Molecular simulation 40 (10-11), 784-793, 2014 | 61 | 2014 |
| Identification of allosteric disulfides from prestress analysis B Zhou, IB Baldus, W Li, SA Edwards, F Gräter Biophysical journal 107 (3), 672-681, 2014 | 58 | 2014 |
| Multiple classifier integration for the prediction of protein structural classes L Chen, L Lu, K Feng, W Li, J Song, L Zheng, Y Yuan, Z Zeng, K Feng, ... Journal of Computational Chemistry 30 (14), 2248-2254, 2009 | 56 | 2009 |
| Reaction mechanism and reaction coordinates from the viewpoint of energy flow W Li, A Ma The Journal of chemical physics 144 (11), 2016 | 40 | 2016 |
| Computational Study of APTES Surface Functionalization of Diatom-like Amorphous SiO2 Surfaces for Heavy Metal Adsorption JJ Gutierrez Moreno, K Pan, Y Wang, W Li Langmuir 36 (20), 5680-5689, 2020 | 31 | 2020 |
| Exploring the multidimensional free energy surface of phosphoester hydrolysis with constrained QM/MM dynamics W Li, T Rudack, K Gerwert, F Gräter, J Schlitter Journal of Chemical Theory and Computation 8 (10), 3596-3604, 2012 | 29 | 2012 |
| Redox potentials of protein disulfide bonds from free-energy calculations W Li, IB Baldus, F Gräter The Journal of Physical Chemistry B 119 (17), 5386-5391, 2015 | 27 | 2015 |
| Force distribution analysis of mechanochemically reactive dimethylcyclobutene W Li, SA Edwards, L Lu, T Kubar, SP Patil, H Grubmüller, G Groenhof, ... ChemPhysChem 14 (12), 2687-2697, 2013 | 21 | 2013 |
| A benchmark for reaction coordinates in the transition path ensemble W Li, A Ma The Journal of chemical physics 144 (13), 2016 | 20 | 2016 |
| Absolute binding free energy calculations for highly flexible protein MDM2 and its inhibitors N Singh, W Li International Journal of Molecular Sciences 21 (13), 4765, 2020 | 19 | 2020 |
| Prediction of protein structural classes using hybrid properties W Li, K Lin, K Feng, Y Cai Molecular Diversity 12, 171-179, 2008 | 18 | 2008 |
| Recent advances in the prediction of protein structural classes: Feature descriptors and machine learning algorithms L Zhu, MD Davari, W Li Crystals 11 (4), 324, 2021 | 15 | 2021 |
| Reducing the cost of evaluating the committor by a fitting procedure W Li, A Ma The Journal of chemical physics 143 (17), 2015 | 14 | 2015 |
| DNA-binding mechanisms of human and mouse cGAS: a comparative MD and MM/GBSA study X Wang, H Zhang, W Li Physical Chemistry Chemical Physics 22 (45), 26390-26401, 2020 | 9 | 2020 |
| Residue–residue mutual work analysis of retinal–opsin interaction in rhodopsin: implications for protein–ligand binding W Li Journal of Chemical Theory and Computation 16 (3), 1834-1842, 2020 | 8 | 2020 |
| Some studies on generalized coordinate sets for polyatomic molecules W Li, A Ma The Journal of chemical physics 143 (22), 2015 | 8 | 2015 |
| Rapid synthesis and growth process deconvolution of Au nanoflowers with ultrahigh catalytic activity based on microfluidics Q Fu, C Fu, L Teng, W Li, Y Sheng, S Handschuh-Wang Journal of Materials Science, 1-12, 2021 | 7 | 2021 |
Frauke GraeterHeidelberg Institute for Theoretical StudiesVahvistettu sähköpostiosoite verkkotunnuksessa h-its.org
