
OpenAlex is a bibliographic catalogue of scientific papers, authors and institutions accessible in open access mode, named after the Library of Alexandria. It's citation coverage is excellent and I hope you will find utility in this listing of citing articles!
If you click the article title, you'll navigate to the article, as listed in CrossRef. If you click the Open Access links, you'll navigate to the "best Open Access location". Clicking the citation count will open this listing for that article. Lastly at the bottom of the page, you'll find basic pagination options.
Requested Article:
The Quantum Chemical Cluster Approach in Biocatalysis
Xiang Sheng, Fahmi Himo
Accounts of Chemical Research (2023) Vol. 56, Iss. 8, pp. 938-947
Open Access | Times Cited: 56
Xiang Sheng, Fahmi Himo
Accounts of Chemical Research (2023) Vol. 56, Iss. 8, pp. 938-947
Open Access | Times Cited: 56
Showing 1-25 of 56 citing articles:
Navigating the landscape of enzyme design: from molecular simulations to machine learning
Jiahui Zhou, Meilan Huang
Chemical Society Reviews (2024) Vol. 53, Iss. 16, pp. 8202-8239
Open Access | Times Cited: 21
Jiahui Zhou, Meilan Huang
Chemical Society Reviews (2024) Vol. 53, Iss. 16, pp. 8202-8239
Open Access | Times Cited: 21
Learning from Protein Engineering by Deconvolution of Multi‐Mutational Variants
Frank Hollmann, Joaquin Sanchis, Manfred T. Reetz
Angewandte Chemie International Edition (2024) Vol. 63, Iss. 36
Open Access | Times Cited: 18
Frank Hollmann, Joaquin Sanchis, Manfred T. Reetz
Angewandte Chemie International Edition (2024) Vol. 63, Iss. 36
Open Access | Times Cited: 18
Quantum mechanical-based strategies in drug discovery: Finding the pace to new challenges in drug design
Tiziana Ginex, Javier Vázquez, Carolina Estarellas, et al.
Current Opinion in Structural Biology (2024) Vol. 87, pp. 102870-102870
Open Access | Times Cited: 11
Tiziana Ginex, Javier Vázquez, Carolina Estarellas, et al.
Current Opinion in Structural Biology (2024) Vol. 87, pp. 102870-102870
Open Access | Times Cited: 11
Eliminating Imaginary Vibrational Frequencies in Quantum-Chemical Cluster Models of Enzymatic Active Sites
Paige E. Bowling, Saswata Dasgupta, John M. Herbert
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 9, pp. 3912-3922
Open Access | Times Cited: 8
Paige E. Bowling, Saswata Dasgupta, John M. Herbert
Journal of Chemical Information and Modeling (2024) Vol. 64, Iss. 9, pp. 3912-3922
Open Access | Times Cited: 8
Quantum Mechanical Cluster Models for Calculations on Enzymatic Reaction Mechanisms: Set‐Up and Accuracy
Sam P. de Visser, Henrik P. H. Wong, Yi Zhang, et al.
Chemistry - A European Journal (2024) Vol. 30, Iss. 60
Open Access | Times Cited: 7
Sam P. de Visser, Henrik P. H. Wong, Yi Zhang, et al.
Chemistry - A European Journal (2024) Vol. 30, Iss. 60
Open Access | Times Cited: 7
Mechanistic Investigation on C–C Bond Cleavage of Anthraquinone Catalyzed by an Atypical Nonheme Iron-Dependent Dioxygenase BTG13
Zhiwei Deng, Hao Su, Xiaodong Hou, et al.
ACS Catalysis (2024) Vol. 14, Iss. 2, pp. 797-811
Closed Access | Times Cited: 6
Zhiwei Deng, Hao Su, Xiaodong Hou, et al.
ACS Catalysis (2024) Vol. 14, Iss. 2, pp. 797-811
Closed Access | Times Cited: 6
Mutexa: A Computational Ecosystem for Intelligent Protein Engineering
Zhongyue Yang, Qianzhen Shao, Yaoyukun Jiang, et al.
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 21, pp. 7459-7477
Open Access | Times Cited: 11
Zhongyue Yang, Qianzhen Shao, Yaoyukun Jiang, et al.
Journal of Chemical Theory and Computation (2023) Vol. 19, Iss. 21, pp. 7459-7477
Open Access | Times Cited: 11
Structural and Computational Insights into the Noncanonical Aromatization in Fungal Polyketide Biosynthesis
Hang Wang, Chao Peng, Xiaoxuan Chen, et al.
ACS Catalysis (2024) Vol. 14, Iss. 14, pp. 10796-10805
Closed Access | Times Cited: 4
Hang Wang, Chao Peng, Xiaoxuan Chen, et al.
ACS Catalysis (2024) Vol. 14, Iss. 14, pp. 10796-10805
Closed Access | Times Cited: 4
Computational Study on the Reaction Mechanism of 5‐Enolpyruvylshikimate‐3‐phosphate Synthase from Nicotiana Tabacum
Qingfang Han, Beibei Lin, Ziwei Liu, et al.
ChemistryOpen (2025)
Open Access
Qingfang Han, Beibei Lin, Ziwei Liu, et al.
ChemistryOpen (2025)
Open Access
Evolutionary Specialization of a Promiscuous Designer Enzyme
Reuben B. Leveson‐Gower, Laura Tiessler‐Sala, H.J. Rozeboom, et al.
ACS Catalysis (2025) Vol. 15, Iss. 3, pp. 1544-1552
Open Access
Reuben B. Leveson‐Gower, Laura Tiessler‐Sala, H.J. Rozeboom, et al.
ACS Catalysis (2025) Vol. 15, Iss. 3, pp. 1544-1552
Open Access
Advances in the Simulations of Enzyme Reactivity in the Dawn of the Artificial Intelligence Age
Katarzyna Świderek, J. Bertrán, Kirill Zinovjev, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2025) Vol. 15, Iss. 1
Open Access
Katarzyna Świderek, J. Bertrán, Kirill Zinovjev, et al.
Wiley Interdisciplinary Reviews Computational Molecular Science (2025) Vol. 15, Iss. 1
Open Access
N-Oxide Insertion into LDA Dimeric Aggregates for Azomethine Ylide Formation: Explicit Solvation in Quantum Mechanical Treatment of Polarized Intermediates
Martin J. Neal, Eric J. Chartier, Aiden M. Lane, et al.
The Journal of Organic Chemistry (2025) Vol. 90, Iss. 10, pp. 3673-3683
Open Access
Martin J. Neal, Eric J. Chartier, Aiden M. Lane, et al.
The Journal of Organic Chemistry (2025) Vol. 90, Iss. 10, pp. 3673-3683
Open Access
QM/MM free energy calculations for enzyme catalytic reactions
Edina Rosta
Advances in quantum chemistry (2025)
Closed Access
Edina Rosta
Advances in quantum chemistry (2025)
Closed Access
A mini review on revolutionizing hydrogenation catalysis: unleashing transformative power of artificial intelligence
Anurag Mishra, Vikesh G. Lade, Jyoti Ramesh Barmar, et al.
Journal of Molecular Modeling (2025) Vol. 31, Iss. 5
Closed Access
Anurag Mishra, Vikesh G. Lade, Jyoti Ramesh Barmar, et al.
Journal of Molecular Modeling (2025) Vol. 31, Iss. 5
Closed Access
Computational Exploration of Enzyme Promiscuity: Mechanisms of O2 and NO Reduction Activities of the Desulfovibrio gigas Flavodiiron Protein
Wen‐Hao Deng, Tai‐Ping Zhou, Rong‐Zhen Liao
ACS Catalysis (2023) Vol. 13, Iss. 24, pp. 16318-16336
Closed Access | Times Cited: 10
Wen‐Hao Deng, Tai‐Ping Zhou, Rong‐Zhen Liao
ACS Catalysis (2023) Vol. 13, Iss. 24, pp. 16318-16336
Closed Access | Times Cited: 10
Mechanism of the Oxidative Ring-Closure Reaction during Gliotoxin Biosynthesis by Cytochrome P450 GliF
Muizz Qureshi, Thirakorn Mokkawes, Yuanxin Cao, et al.
International Journal of Molecular Sciences (2024) Vol. 25, Iss. 16, pp. 8567-8567
Open Access | Times Cited: 3
Muizz Qureshi, Thirakorn Mokkawes, Yuanxin Cao, et al.
International Journal of Molecular Sciences (2024) Vol. 25, Iss. 16, pp. 8567-8567
Open Access | Times Cited: 3
QM/MM Modeling Aided Enzyme Engineering in Natural Products Biosynthesis
Fan Zhang, Tao Zeng, Ruibo Wu
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 16, pp. 5018-5034
Closed Access | Times Cited: 8
Fan Zhang, Tao Zeng, Ruibo Wu
Journal of Chemical Information and Modeling (2023) Vol. 63, Iss. 16, pp. 5018-5034
Closed Access | Times Cited: 8
Discovery, Structure, and Mechanism of the (R, S)-Norcoclaurine Synthase for the Chiral Synthesis of Benzylisoquinoline Alkaloids
Libo Zhang, Shiqing Zhang, Lijing Liao, et al.
ACS Catalysis (2023) Vol. 13, Iss. 22, pp. 15164-15174
Closed Access | Times Cited: 8
Libo Zhang, Shiqing Zhang, Lijing Liao, et al.
ACS Catalysis (2023) Vol. 13, Iss. 22, pp. 15164-15174
Closed Access | Times Cited: 8
Mechanistic Insights into the electron‐transfer driven substrate activation by [4Fe‐4S]‐dependent Enzymes
Wenjie Wei, Rong‐Zhen Liao
ChemCatChem (2024) Vol. 16, Iss. 14
Closed Access | Times Cited: 2
Wenjie Wei, Rong‐Zhen Liao
ChemCatChem (2024) Vol. 16, Iss. 14
Closed Access | Times Cited: 2
Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene
Carla Orlando, Isabella Cecilia Rizzo, Federica Arrigoni, et al.
Dalton Transactions (2024) Vol. 53, Iss. 29, pp. 12152-12161
Open Access | Times Cited: 2
Carla Orlando, Isabella Cecilia Rizzo, Federica Arrigoni, et al.
Dalton Transactions (2024) Vol. 53, Iss. 29, pp. 12152-12161
Open Access | Times Cited: 2
A Highly Stereoselective and Efficient Biocatalytic Synthesis of Chiral Syn-Aryl β-Hydroxy α-Amino Esters
Tao‐Shun Zhou, Jidong Shen, Xiangyang Li, et al.
ACS Catalysis (2024) Vol. 14, Iss. 20, pp. 15374-15385
Closed Access | Times Cited: 2
Tao‐Shun Zhou, Jidong Shen, Xiangyang Li, et al.
ACS Catalysis (2024) Vol. 14, Iss. 20, pp. 15374-15385
Closed Access | Times Cited: 2
Computational Study of the Fries Rearrangement Catalyzed by Acyltransferase from Pseudomonas protegens
Xiang Sheng, Wolfgang Kroutil, Fahmi Himo
ChemistryOpen (2024) Vol. 13, Iss. 7
Open Access | Times Cited: 1
Xiang Sheng, Wolfgang Kroutil, Fahmi Himo
ChemistryOpen (2024) Vol. 13, Iss. 7
Open Access | Times Cited: 1
Eliminating imaginary vibrational frequencies in quantum-chemical cluster models of enzymatic active sites
Paige E. Bowling, Saswata Dasgupta, John M. Herbert
(2024)
Open Access | Times Cited: 1
Paige E. Bowling, Saswata Dasgupta, John M. Herbert
(2024)
Open Access | Times Cited: 1
Non-Electrostatic Basis for an Artificial Metalloenzyme Catalysis
Anagh Mukherjee, Subhendu Roy
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access | Times Cited: 1
Anagh Mukherjee, Subhendu Roy
bioRxiv (Cold Spring Harbor Laboratory) (2024)
Open Access | Times Cited: 1
Computational mechanistic investigation of the kinetic resolution of α-methyl-phenylacetaldehyde by norcoclaurine synthase
Shiqing Zhang, Chenghua Zhang, Aijing Guo, et al.
Communications Chemistry (2024) Vol. 7, Iss. 1
Open Access | Times Cited: 1
Shiqing Zhang, Chenghua Zhang, Aijing Guo, et al.
Communications Chemistry (2024) Vol. 7, Iss. 1
Open Access | Times Cited: 1