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Qianyi Cheng
Qianyi Cheng
Verified email at memphis.edu
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Year
Water dimer radical cation: structures, vibrational frequencies, and energetics
Q Cheng, FA Evangelista, AC Simmonett, Y Yamaguchi, HF Schaefer III
The Journal of Physical Chemistry A 113 (49), 13779-13789, 2009
682009
Hydroxyl radical reactions with adenine: reactant complexes, transition states, and product complexes
Q Cheng, J Gu, KR Compaan, HF Schaefer III
Chemistry–A European Journal 16 (39), 11848-11858, 2010
542010
Template based protein structure modeling by global optimization in CASP 11
K Joo, IS Joung, SY Lee, JY Kim, Q Cheng, B Manavalan, JY Joung, ...
Proteins: Structure, Function, and Bioinformatics 84, 221-232, 2016
372016
Triplet states of cyclopropenylidene and its isomers
Q Wu, Q Cheng, Y Yamaguchi, Q Li, HF Schaefer
The Journal of chemical physics 132 (4), 2010
202010
Protein structure modeling and refinement by global optimization in CASP12
SH Hong, IS Joung, JC Flores‐Canales, B Manavalan, Q Cheng, S Heo, ...
Proteins: Structure, Function, and Bioinformatics 86, 122-135, 2018
192018
Towards a quantum chemical protocol for the prediction of rovibrational spectroscopic data for transition metal molecules: Exploration of CuCN, CuOH, and CuCCH
Q Cheng, RC Fortenberry, NJ DeYonker
The Journal of Chemical Physics 147 (23), 2017
172017
Isoguanine formation from adenine
Q Cheng, J Gu, KR Compaan, HF Schaefer III
Chemistry–A European Journal 18 (16), 4877-4886, 2012
172012
QM-cluster model study of the guaiacol hydrogen atom transfer and oxygen rebound with cytochrome P450 enzyme GcoA
Q Cheng, NJ DeYonker
The Journal of Physical Chemistry B 125 (13), 3296-3306, 2021
142021
A simple and efficient Protein structure refinement method
Q Cheng, IS Joung, J Lee
Journal of Chemical Theory and Computation 13 (10), 5146-5162, 2017
132017
Template‐free modeling by LEE and LEER in CASP 11
IS Joung, SY Lee, Q Cheng, JY Kim, K Joo, SJ Lee, J Lee
Proteins: Structure, Function, and Bioinformatics 84, 118-130, 2016
112016
Cheminformatic quantum mechanical enzyme model design: A catechol-O-methyltransferase case study
TJ Summers, Q Cheng, MA Palma, DT Pham, DK Kelso, CE Webster, ...
Biophysical Journal 120 (17), 3577-3587, 2021
102021
In silico design of peptide-based SARS-CoV-2 fusion inhibitors that target wt and mutant versions of SARS-CoV-2 HR1 Domains
SV Stoddard, FE Wallace, SD Stoddard, Q Cheng, D Acosta, S Barzani, ...
Biophysica 1 (3), 311-327, 2021
102021
Quantifying inter-residue contacts through interaction energies
TJ Summers, BP Daniel, Q Cheng, NJ DeYonker
Journal of Chemical Information and Modeling 59 (12), 5034-5044, 2019
102019
Contact‐assisted protein structure modeling by global optimization in CASP11
K Joo, IS Joung, Q Cheng, SJ Lee, J Lee
Proteins: Structure, Function, and Bioinformatics, 2016
102016
A transition state “trapped”? QM-cluster models of engineered threonyl-tRNA synthetase
TJ Summers, Q Cheng, NJ DeYonker
Organic & Biomolecular Chemistry 16 (22), 4090-4100, 2018
82018
Theoretical study of the low-lying electronic states of iron hydride cation
Q Cheng, NJ DeYonker
The Journal of Chemical Physics 150 (23), 2019
72019
Exploring the folding mechanism of small proteins GB1 and LB1
Q Cheng, IS Joung, J Lee, K Kuwajima, J Lee
Journal of chemical theory and computation 15 (6), 3432-3449, 2019
62019
An integrated experimental and computational approach for characterizing the kinetics and mechanism of triadimefon racemization
Q Cheng, Q Teng, SA Marchitti, CM Dillingham, JF Kenneke
Chirality 28 (9), 633-641, 2016
62016
Theoretical Rovibrational Spectroscopy of Magnesium Tricarbide–Multireference Character Thwarts a Full Analysis of All Isomers
DA Agbaglo, Q Cheng, RC Fortenberry, JF Stanton, NJ DeYonker
The Journal of Physical Chemistry A 126 (26), 4132-4146, 2022
52022
The structure of ScC2 (X̃2A1): A combined Fourier transform microwave/millimeter-wave spectroscopic and computational study
MA Burton, Q Cheng, DT Halfen, JH Lane, NJ DeYonker, LM Ziurys
The Journal of Chemical Physics 153 (3), 2020
52020
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