Liu C - Search Results

1

Origin of Enantioselectivity in Engineered Cytochrome c-Catalyzed Carbon-Radical FePP Hydrolysis Revealed Using QM/MM (ABEEM Polarizable Force Field) and MD Simulations.

Huang H, Zhao DX, Zhao J, Chen X, Liu C, Yang ZZ. Huang H, et al. Among authors: liu c. J Phys Chem B. 2024 Apr 25;128(16):3807-3823. doi: 10.1021/acs.jpcb.3c07158. Epub 2024 Apr 11. J Phys Chem B. 2024. PMID: 38605466

2

Calculating solvation energies by means of a fluctuating charge model combined with continuum solvent model.

Zhao DX, Yu L, Gong LD, Liu C, Yang ZZ. Zhao DX, et al. Among authors: liu c. J Chem Phys. 2011 May 21;134(19):194115. doi: 10.1063/1.3590718. J Chem Phys. 2011. PMID: 21599052

3

Direct evaluation of individual hydrogen bond energy in situ in intra- and intermolecular multiple hydrogen bonds system.

Liu C, Zhao DX, Yang ZZ. Liu C, et al. J Comput Chem. 2012 Feb 5;33(4):379-90. doi: 10.1002/jcc.21975. Epub 2011 Dec 13. J Comput Chem. 2012. PMID: 22170234

4

Investigation of base pairs containing oxidized guanine using ab initio method and ABEEMσπ polarizable force field.

Liu C, Wang Y, Zhao D, Gong L, Yang Z. Liu C, et al. J Mol Graph Model. 2014 Feb;47:62-76. doi: 10.1016/j.jmgm.2013.10.008. Epub 2013 Oct 31. J Mol Graph Model. 2014. PMID: 24322440

5

Development of a Polarizable Force Field Using Multiple Fluctuating Charges per Atom.

Zhao DX, Liu C, Wang FF, Yu CY, Gong LD, Liu SB, Yang ZZ. Zhao DX, et al. Among authors: liu c, liu sb. J Chem Theory Comput. 2010 Mar 9;6(3):795-804. doi: 10.1021/ct9006647. J Chem Theory Comput. 2010. PMID: 26613307

6

How does ammonia bind to the oxygen-evolving complex in the S₂ state of photosynthetic water oxidation? Theoretical support and implications for the W1 substitution mechanism.

Guo Y, He LL, Zhao DX, Gong LD, Liu C, Yang ZZ. Guo Y, et al. Among authors: liu c. Phys Chem Chem Phys. 2016 Nov 23;18(46):31551-31565. doi: 10.1039/c6cp05725j. Phys Chem Chem Phys. 2016. PMID: 27831574

7

Development of the ABEEMσπ Polarization Force Field for Base Pairs with Amino Acid Residue Complexes.

Liu C, Li Y, Han BY, Gong LD, Lu LN, Yang ZZ, Zhao DX. Liu C, et al. J Chem Theory Comput. 2017 May 9;13(5):2098-2111. doi: 10.1021/acs.jctc.6b01206. Epub 2017 Apr 18. J Chem Theory Comput. 2017. PMID: 28402659

8

Reaction mechanism of NO with hydrolysates of NAMI-A: an MD simulation by combining the QM/MM(ABEEM) with the MD-FEP method.

Li H, Wang D, Zhao X, Lu LN, Liu C, Gong LD, Zhao DX, Yang ZZ. Li H, et al. Among authors: liu c. J Comput Chem. 2019 Apr 15;40(10):1141-1150. doi: 10.1002/jcc.25734. Epub 2018 Oct 30. J Comput Chem. 2019. PMID: 30375671

9

ABEEM/MM OH^- Models for OH^-(H₂O)_n Clusters and Aqueous OH^-: Structures, Charge Distributions, and Binding Energies.

Shi H, Gong LD, Liu C, Lu LN, Yang ZZ. Shi H, et al. Among authors: liu c. J Phys Chem A. 2020 Jul 16;124(28):5963-5978. doi: 10.1021/acs.jpca.0c03941. Epub 2020 Jul 2. J Phys Chem A. 2020. PMID: 32520555

10

Systematic Parameterization and Simulation of Boronic Acid-β-Lactamase Aqueous Solution in Developing the ABEEMσπ Polarizable Force Field.

Lu LN, Liu C, Yang ZZ. Lu LN, et al. Among authors: liu c. J Phys Chem A. 2020 Oct 15;124(41):8614-8632. doi: 10.1021/acs.jpca.0c06806. Epub 2020 Oct 6. J Phys Chem A. 2020. PMID: 32910648

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