Cover, Content, and Editorial Note from J Mol Docking Vol. 1 No. 2 December 2021 by Chief Editor of J Mol Docking

Subjects: “…Journal of Molecular Docking…”
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Cover, Content, and Editorial Note from J Mol Docking Vol. 2 No. 1 June 2022 by Chief Editor of J Mol Docking

Subjects: “…Journal of Molecular Docking…”
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Cover, Content, and Editorial Note from J Mol Docking Vol. 1 No. 1 June 2021 by Chief Editor of J Mol Docking

Subjects: “…Journal of Molecular Docking…”
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Subtractive proteomics-based vaccine targets annotation and reverse vaccinology approaches to identify multiepitope vaccine against Plesiomonas shigelloides by Danish Rasool, Sohail Ahmad Jan, Sumra Umer Khan, Nazia Nahid, Usman Ali Ashfaq, Ahitsham Umar, Muhammad Qasim, Fatima Noor, Abdur Rehman, Kiran Shahzadi, Abdulrahman Alshammari, Metab Alharbi, Muhammad Atif Nisar

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Oxoisoaporphine as Potent Telomerase Inhibitor by Zu-Zhuang Wei, Qi-Pin Qin, Jia-Nian Chen, Zhen-Feng Chen

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Isolation of the Antifungal Compound Alliodorin from the Heartwood of <i>Cordia elaeagnoides</i> A. DC. and the In Silico Analysis of the Laccase by Santiago José Guevara-Martínez, Francisco Villanueva-Mejía, Adalberto Zamudio-Ojeda, Rafael Herrera-Bucio, Fredy Geovannini Morales-Palacios

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Virtual Screening of Phytochemicals to Novel Target (HAT) Rtt109 in Pneumocystis Jirovecii using Bioinformatics Tools by Ramya Sugumar, Abhinand Ponneri Adithavarman, Anusha Dakshinamoorthi, Darling Chellathai David, Padmavathi Kannan Ragunath

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Synthesizing, Studying Molecular Docking, Characterizing, and Preliminary Evaluating Anti-Bacterial Effects of Derivatives of Serotonin Contain Imidazolidine Ring by Marwa Abdullah Saleh, Karima Fadhil Ali, Basma M. Abd Razik

Subjects: “…Serotonin; Imidazolidine; Molecular docking…”
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Synthesis and Spectroscopic Analysis of Piperine- and Piperlongumine-Inspired Natural Product Scaffolds and Their Molecular Docking with IL-1β and NF-κB Proteins by Gabriel Zazeri, Ana Paula R. Povinelli, Cécile S. Le Duff, Bridget Tang, Marinonio L. Cornelio, Alan M. Jones

Subjects: “…molecular docking…”
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Integrating Pharmacological and Computational Approaches for the Phytochemical Analysis of <em>Syzygium cumini</em> and Its Anti-Diabetic Potential by Fatima Rashid, Anam Javaid, Mahmood-ur-Rahman, Usman Ali Ashfaq, Muhammad Sufyan, Abdulrahman Alshammari, Metab Alharbi, Muhammad Atif Nisar, Mohsin Khurshid

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Analyses on the reactivity, topology and bioactivity of Fluazinam using density functional theory by R. Godwini, J.Clemy Monicka, S.Grace Victoria

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Recent Advances in Discovery of New Tyrosine Kinase Inhibitors Using Computational Methods by Vesna Rastija

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QSAR, molecular docking, and design of novel 4-(N,N-diarylmethyl amines) Furan-2(5H)-one derivatives as insecticides against Aphis craccivora by Yusuf Isyaku, Adamu Uzairu, Sani Uba, Muhammad Tukur Ibrahim, Abdullahi Bello Umar

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Computational docking of FtsZ: Survey of promising antibiotic compounds by Ileini N. Espino, Julia Drolet, Ty-niquia Jones, Antonette Uwechue, Brittany Koehler, Raquel Beaird, Sanni Maione, Christine Darrah, Rana Hijazi, Christopher James, Annabelle Dupre, Ewa Koscinski, Leilani Creft, Michael Giampaolo, Alexandre Bernier, Kelly E. Theisen

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Simulated spectra (IR and Raman), NLO, AIM and molecular docking of carisoprodol from DFT approach by Manoj Kumar Chaudhary, Tarun Chaudhary, Bhawani Datt Joshi

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Simulated spectra (IR and Raman), NLO, AIM and molecular docking of carisoprodol from DFT approach by Manoj Kumar Chaudhary, Tarun Chaudhary, Bhawani Datt Joshi

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Synthesis and Pesticidal Activity of New Niacinamide Derivatives Containing a Flexible, Chiral Chain by Zhe-Cheng Wei, Qiao Wang, Li-Jing Min, Joanna Bajsa-Hirschel, Charles L. Cantrell, Liang Han, Cheng-Xia Tan, Jian-Quan Weng, Yu-Xin Li, Na-Bo Sun, Stephen O. Duke, Xing-Hai Liu

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Beyond Chemistry: Investigating the Physical, Pharmacological, and Computational Aspects of Polyoxometalate Integrated Solid Lipid Nanoparticles for Cancer Treatment by Khan R, Tulain UR, Shah HS, Usman F, Chohan TA, Iqbal J, Kazi M, Ijaz M, Erum A, Malik NS, Mahmood A

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Designing of a Novel Aerolysin-based Multiepitope Vaccine against Aeromonas hydrophila Isolated from Osphronemus goramy Using Reverse Vaccinology: an in Silico Approaches by Rozi, Wiwiek Tyasningsih, Jola Rahmahani, Eduardus Bimo Aksono, Muchammad Yunus, Mohammad Anam Al-Arif, Suryo Kuncorojati, Rahayu Kusdarwati, Putri Desi Wulan Sari, Mohammad Noor Azmai Amal, Annas Salleh, Nadeem Khanand, Suwarno

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Acetylcholinesterase inhibitors with a thiazolium scaffold: structural features and binding modes by O. L. Kobzar, A. D. Ocheretniuk, I. M. Mischenko, O. P. Kozachenko, V. S. Brovarets, A. I. Vovk

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