Chengwen Liu, Ph.D.
Affiliations: | 2010-2015 | College of Chemistry & Molecular Engineering | Peking University, Beijing, Beijing Shi, China |
| 2015-2018 | Department of Biomedical Engineering | University of Texas at Austin, Austin, Texas, U.S.A. |
Area:
Molecular Modelling, Quantum Chemistry, Drug DiscoveryGoogle:
"https://scholar.google.com/citations?user=kWvWLd0AAAAJ&hl=en"Mean distance: 8.93
Parents
Sign in to add mentor| Yi Qin Gao | grad student | 2010-2015 | Peking University | |
| (Major: Theoretical & Computational Chemistry) | ||||
| Pengyu Ren | post-doc | 2015- | UT Austin | |
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Publications
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| Blazhynska M, Lagardère L, Liu C, et al. (2024) Water-glycan interactions drive the SARS-CoV-2 spike dynamics: insights into glycan-gate control and camouflage mechanisms. Chemical Science |
| Yang X, Liu C, Ren P. (2024) Exploring Biomolecular Conformational Dynamics with Polarizable Force Field AMOEBA and Enhanced Sampling Method Milestoning. Journal of Chemical Theory and Computation |
| Wang Y, Inizan TJ, Liu C, et al. (2024) Incorporating Neural Networks into the AMOEBA Polarizable Force Field. The Journal of Physical Chemistry. B |
| Maghsoud Y, Vázquez-Montelongo EA, Yang X, et al. (2023) Computational Investigation of a Series of Small Molecules as Potential Compounds for Lysyl Hydroxylase-2 (LH2) Inhibition. Journal of Chemical Information and Modeling. 63: 986-1001 |
| Wait EE, Gourary J, Liu C, et al. (2023) Development of AMOEBA Polarizable Force Field for Rare-Earth La Interaction with Bioinspired Ligands. The Journal of Physical Chemistry. B. 127: 1367-1375 |
| Wang Y, Walker BD, Liu C, et al. (2022) An Efficient Approach to Large-Scale Ab Initio Conformational Energy Profiles of Small Molecules. Molecules (Basel, Switzerland). 27 |
| Yang X, Liu C, Kuo YA, et al. (2022) Computational study on the binding of Mango-II RNA aptamer and fluorogen using the polarizable force field AMOEBA. Frontiers in Molecular Biosciences. 9: 946708 |
| Walker B, Liu C, Wait E, et al. (2022) Automation of AMOEBA polarizable force field for small molecules: Poltype 2. Journal of Computational Chemistry |
| Arabzadeh H, Liu C, Acevedo O, et al. (2022) Hydration of divalent lanthanides, Sm and Eu : A molecular dynamics study with polarizable AMOEBA force field. Journal of Computational Chemistry |
| Yang X, Liu C, Walker BD, et al. (2022) Accurate description of molecular dipole surface with charge flux implemented for molecular mechanics. The Journal of Chemical Physics. 153: 064103 |