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E. A. Mustaev, E. M. Khamitov

Zhongyun Wu, Lianmeng Ye, Nan Yuan, Nuela Manka’a Che Ajuyo, Zhengpan Xiao, Liangwang Liu, Zuqian Chen, Yechun Pei, Yi Min, Dayong Wang

Francisco J. Barrera-Téllez, Fernando D. Prieto-Martínez, Alicia Hernández-Campos, Karina Martínez-Mayorga, Rafael Castillo-Bocanegra

Anastasiya S. Sokolova, Kseniya S. Kovaleva, Sergey O. Kuranov, Nikolay I. Bormotov, Sophia S. Borisevich, Anastasiya A. Zhukovets, Olga I. Yarovaya, Olga A. Serova, Maxim B. Nawrozkij, Andrey A. Vernigora, Andrey V. Davidenko, Eduard M. Khamitov, Roman Y. Peshkov, Larisa N. Shishkina, Rinat A. Maksuytov, Nariman F. Salakhutdinov

Timothy J. McTiernan, Diego B. Diaz, George J. Saunders, Fiona Sprang, Andrei K. Yudin

Michael K. Richardson

Alla Sidorova, Vladimir Bystrov, Aleksey Lutsenko, Denis Shpigun, Ekaterina Belova, Ilya Likhachev

Francisco Adasme-Carreño, Julio Caballero, Joel Ireta

Durgesh Kumar, Kamlesh Kumari, Abhilash Jayaraj, Prashant Singh

Poonam Mishra Chatterjee, Deepika Pandey Tiwari, Silpi Datta, Suman Chakrabarty, Ritu Raval, Ashok Kumar Dubey

Roya Momen, Alireza Azizi, Lingling Wang, Ping Yang, Tianlv Xu, Steven R. Kirk, Wenxuan Li, Sergei Manzhos, Samantha Jenkins

Mohamad Yousef, Tamer Abdelkader, Khaled ElBahnasy

Roya Momen, Alireza Azizi, Lingling Wang, Yang Ping, Tianlv Xu, Steven R. Kirk, Wenxuan Li, Sergei Manzhos, Samantha Jenkins

2025	Predicting the PARP1 Tertiary Structure by Molecular Modeling Methods Journal of Structural Chemistry E. A. Mustaev, E. M. Khamitov
2023	A Molecular Integrative Study on the Inhibitory Effects of WRR and ERW on Amyloid β Peptide (1–42) Polymerization and Cell Toxicity Polymers Zhongyun Wu, Lianmeng Ye, Nan Yuan, Nuela Manka’a Che Ajuyo, Zhengpan Xiao, Liangwang Liu, Zuqian Chen, Yechun Pei, Yi Min, Dayong Wang
2023	In Silico Exploration of the Trypanothione Reductase (TryR) of L. mexicana International Journal of Molecular Sciences Francisco J. Barrera-Téllez, Fernando D. Prieto-Martínez, Alicia Hernández-Campos, Karina Martínez-Mayorga, Rafael Castillo-Bocanegra
2022	Design, Synthesis, and Biological Evaluation of (+)‐Camphor‐ and (−)‐Fenchone‐Based Derivatives as Potent Orthopoxvirus Inhibitors ChemMedChem Anastasiya S. Sokolova, Kseniya S. Kovaleva, Sergey O. Kuranov, Nikolay I. Bormotov, Sophia S. Borisevich, Anastasiya A. Zhukovets, Olga I. Yarovaya, Olga A. Serova, Maxim B. Nawrozkij, Andrey A. Vernigora, Andrey V. Davidenko, Eduard M. Khamitov, Roman Y. Peshkov, Larisa N. Shishkina, Rinat A. Maksuytov, Nariman F. Salakhutdinov
2022	Navigating complex peptide structures using macrocycle conformational maps RSC Chemical Biology Timothy J. McTiernan, Diego B. Diaz, George J. Saunders, Fiona Sprang, Andrei K. Yudin
2022	Theories, laws, and models in evo‐devo Journal of Experimental Zoology Part B: Molecular and Developmental Evolution Michael K. Richardson
2021	Quantitative Assessment of Chirality of Protein Secondary Structures and Phenylalanine Peptide Nanotubes Nanomaterials Alla Sidorova, Vladimir Bystrov, Aleksey Lutsenko, Denis Shpigun, Ekaterina Belova, Ilya Likhachev
2021	PSIQUE: Protein Secondary Structure Identification on the Basis of Quaternions and Electronic Structure Calculations Journal of Chemical Information and Modeling Francisco Adasme-Carreño, Julio Caballero, Joel Ireta
2020	Development of a theoretical model for the inhibition of nsP3 of Chikungunya virus using pyranooxazoles Journal of Biomolecular Structure and Dynamics Durgesh Kumar, Kamlesh Kumari, Abhilash Jayaraj, Prashant Singh
2019	Probing into Methylene Blue Interaction with Polyglutamic Acid: Spectroscopic and Molecular Dynamics Simulation Studies Asian Journal of Chemistry Poonam Mishra Chatterjee, Deepika Pandey Tiwari, Silpi Datta, Suman Chakrabarty, Ritu Raval, Ashok Kumar Dubey
2018	The BackMAP Python module: how a simpler Ramachandran number can simplify the life of a protein simulator PeerJ Ranjan Mannige
2018	The role of weak interactions in characterizing peptide folding preferences using a QTAIM interpretation of the Ramachandran plot (ϕ‐ψ) International Journal of Quantum Chemistry Roya Momen, Alireza Azizi, Lingling Wang, Ping Yang, Tianlv Xu, Steven R. Kirk, Wenxuan Li, Sergei Manzhos, Samantha Jenkins
2017	2017 12th International Conference on Computer Engineering and Systems (ICCES) Mohamad Yousef, Tamer Abdelkader, Khaled ElBahnasy
2017	Exploration of the forbidden regions of the Ramachandran plot (ϕ-ψ) with QTAIM Phys. Chem. Chem. Phys. Roya Momen, Alireza Azizi, Lingling Wang, Yang Ping, Tianlv Xu, Steven R. Kirk, Wenxuan Li, Sergei Manzhos, Samantha Jenkins

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