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Wenjin Li
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Year
Recent advances in coarse-grained models for biomolecules and their applications
N Singh, W Li
International Journal of Molecular Sciences 20 (15), 3774, 2019
832019
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
792010
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
682020
Recent developments in methods for identifying reaction coordinates
W Li, A Ma
Molecular simulation 40 (10-11), 784-793, 2014
612014
Identification of allosteric disulfides from prestress analysis
B Zhou, IB Baldus, W Li, SA Edwards, F Gräter
Biophysical journal 107 (3), 672-681, 2014
572014
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
552009
Reaction mechanism and reaction coordinates from the viewpoint of energy flow
W Li, A Ma
The Journal of chemical physics 144 (11), 2016
392016
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
272020
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
272015
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
272012
A benchmark for reaction coordinates in the transition path ensemble
W Li, A Ma
The Journal of chemical physics 144 (13), 2016
202016
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
202013
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
192020
Prediction of protein structural classes using hybrid properties
W Li, K Lin, K Feng, Y Cai
Molecular Diversity 12, 171-179, 2008
182008
Reducing the cost of evaluating the committor by a fitting procedure
W Li, A Ma
The Journal of chemical physics 143 (17), 2015
142015
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
112021
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
92020
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
82020
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
72021
Structure, stability and water adsorption on ultra-thin TiO 2 supported on TiN
JJG Moreno, M Fronzi, P Lovera, A O’Riordan, MJ Ford, W Li, M Nolan
Physical Chemistry Chemical Physics 21 (45), 25344-25361, 2019
72019
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Articles 1–20