| 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 | 76 | 2009 |
| 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 | 57 | 2010 |
| 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 | 39 | 2016 |
| 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 | 25 | 2021 |
| 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 | 21 | 2018 |
| 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 | 19 | 2010 |
| 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 | 18 | 2021 |
| 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 | 18 | 2017 |
| Isoguanine formation from adenine Q Cheng, J Gu, KR Compaan, HF Schaefer III Chemistry–A European Journal 18 (16), 4877-4886, 2012 | 17 | 2012 |
| 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 | 15 | 2017 |
| 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 | 14 | 2019 |
| 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 | 13 | 2021 |
| Theoretical study of the low-lying electronic states of iron hydride cation Q Cheng, NJ DeYonker The Journal of Chemical Physics 150 (23), 2019 | 11 | 2019 |
| 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 | 11 | 2018 |
| 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 | 11 | 2016 |
| 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 | 11 | 2016 |
| The influence of model building schemes and molecular dynamics sampling on QM-cluster models: the chorismate mutase case study DA Agbaglo, TJ Summers, Q Cheng, NJ DeYonker Physical Chemistry Chemical Physics 26 (16), 12467-12482, 2024 | 9 | 2024 |
| 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 | 9 | 2022 |
| The Glycine N-Methyltransferase Case Study: Another Challenge for QM-Cluster Models? Q Cheng, NJ DeYonker The Journal of Physical Chemistry B 127 (43), 9282-9294, 2023 | 8 | 2023 |
| A case study of the glycoside hydrolase enzyme mechanism using an automated QM-cluster model building toolkit Q Cheng, NJ DeYonker Frontiers in chemistry 10, 854318, 2022 | 7 | 2022 |
Jooyoung LeeKorea Institute for Advanced Study在 kias.re.kr 的电子邮件经过验证