Li W - Search Results

1

Computational Study of APTES Surface Functionalization of Diatom-like Amorphous SiO₂ Surfaces for Heavy Metal Adsorption.

Gutiérrez Moreno JJ, Pan K, Wang Y, Li W. Gutiérrez Moreno JJ, et al. Among authors: li w. Langmuir. 2020 May 26;36(20):5680-5689. doi: 10.1021/acs.langmuir.9b03755. Epub 2020 May 12. Langmuir. 2020. PMID: 32343139

2

Structure, stability and water adsorption on ultra-thin TiO₂ supported on TiN.

Gutiérrez Moreno JJ, Fronzi M, Lovera P, O'Riordan A, Ford MJ, Li W, Nolan M. Gutiérrez Moreno JJ, et al. Among authors: li w. Phys Chem Chem Phys. 2019 Dec 7;21(45):25344-25361. doi: 10.1039/c9cp04506f. Epub 2019 Nov 8. Phys Chem Chem Phys. 2019. PMID: 31701962

3

Residue-Residue Mutual Work Analysis of Retinal-Opsin Interaction in Rhodopsin: Implications for Protein-Ligand Binding.

Li W. Li W. J Chem Theory Comput. 2020 Mar 10;16(3):1834-1842. doi: 10.1021/acs.jctc.9b01035. Epub 2020 Feb 3. J Chem Theory Comput. 2020. PMID: 31972074

4

Development and Testing of Force Field Parameters for Phenylalanine and Tyrosine Derivatives.

Wang X, Li W. Wang X, et al. Among authors: li w. Front Mol Biosci. 2020 Dec 15;7:608931. doi: 10.3389/fmolb.2020.608931. eCollection 2020. Front Mol Biosci. 2020. PMID: 33385013 Free PMC article.

5

Absolute Binding Free Energy Calculations for Highly Flexible Protein MDM2 and Its Inhibitors.

Singh N, Li W. Singh N, et al. Among authors: li w. Int J Mol Sci. 2020 Jul 4;21(13):4765. doi: 10.3390/ijms21134765. Int J Mol Sci. 2020. PMID: 32635537 Free PMC article.

6

Comparative Study of Interactions between Human cGAS and Inhibitors: Insights from Molecular Dynamics and MM/PBSA Studies.

Wang X, Li W. Wang X, et al. Among authors: li w. Int J Mol Sci. 2021 Jan 25;22(3):1164. doi: 10.3390/ijms22031164. Int J Mol Sci. 2021. PMID: 33503880 Free PMC article.

7

Time-Lagged Flux in the Transition Path Ensemble: Flux Maximization and Relation to Transition Path Theory.

Li W. Li W. J Phys Chem A. 2022 Jun 16;126(23):3797-3810. doi: 10.1021/acs.jpca.2c02221. Epub 2022 Jun 7. J Phys Chem A. 2022. PMID: 35670470

The connection of the transition path theory is made to a density-weighted average flux, a quantity proposed in a previous work to appraise the relevance of a coordinate to the reaction coordinate [Li, W. J. Chem. Phys. 2022, 156, 054117]. Most importantly, as an ex …

The connection of the transition path theory is made to a density-weighted average flux, a quantity proposed in a previous work to appraise …

8

Equipartition terms in transition path ensemble: Insights from molecular dynamics simulations of alanine dipeptide.

Li W. Li W. J Chem Phys. 2018 Feb 28;148(8):084105. doi: 10.1063/1.5010408. J Chem Phys. 2018. PMID: 29495774

9

Recent Advances in Coarse-Grained Models for Biomolecules and Their Applications.

Singh N, Li W. Singh N, et al. Among authors: li w. Int J Mol Sci. 2019 Aug 1;20(15):3774. doi: 10.3390/ijms20153774. Int J Mol Sci. 2019. PMID: 31375023 Free PMC article. Review.

10

Optimizing reaction coordinate by flux maximization in the transition path ensemble.

Li W. Li W. J Chem Phys. 2022 Feb 7;156(5):054117. doi: 10.1063/5.0079390. J Chem Phys. 2022. PMID: 35135266

Previously, the full coordinates (both position and momentum) of the snapshots in the transition path ensemble were utilized to obtain the reaction coordinate [W. Li and A. Ma, J. Chem. Phys. 144, 114103 (2016) and W. Li, J. ...

Previously, the full coordinates (both position and momentum) of the snapshots in the transition path ensemble were utilized to obtain the r …

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

75,450 results

Search Page