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Shiv Rakesh Naik, Prashant Bharadwaj, Nadia Dingelstad, Subha Kalyaanamoorthy, Subhash C Mandal, Aravindhan Ganesan, Debprasad Chattopadhyay & Partha Palit. (2022) Structure-based virtual screening, molecular dynamics and binding affinity calculations of some potential phytocompounds against SARS-CoV-2. Journal of Biomolecular Structure and Dynamics 40:15, pages 6921-6938.
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Shruti Koulgi, Vinod Jani, Vinay Nair, Jagmohan S. Saini, Samiron Phukan, Uddhavesh Sonavane, Rajendra Joshi, Raj Kamboj & Venkata Palle. (2022) Molecular dynamics of hERG channel: insights into understanding the binding of small molecules for detuning cardiotoxicity. Journal of Biomolecular Structure and Dynamics 40:13, pages 5996-6012.
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Kuo Hao Lee, Andrew D. Fant, Jiqing Guo, Andy Guan, Joslyn Jung, Mary Kudaibergenova, Williams E. Miranda, Therese Ku, Jianjing Cao, Soren Wacker, Henry J. Duff, Amy Hauck Newman, Sergei Y. Noskov & Lei Shi. (2021) Toward Reducing hERG Affinities for DAT Inhibitors with a Combined Machine Learning and Molecular Modeling Approach. Journal of Chemical Information and Modeling 61:9, pages 4266-4279.
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Ulf Neumann, Mike Ufer, Laura H Jacobson, Marie‐Laure Rouzade‐Dominguez, Gunilla Huledal, Carine Kolly, Rainer M Lüönd, Rainer Machauer, Siem J Veenstra, Konstanze Hurth, Heinrich Rueeger, Marina Tintelnot‐Blomley, Matthias Staufenbiel, Derya R Shimshek, Ludovic Perrot, Wilfried Frieauff, Valerie Dubost, Hilmar Schiller, Barbara Vogg, Karen Beltz, Alexandre Avrameas, Sandrine Kretz, Nicole Pezous, Jean‐Michel Rondeau, Nicolau Beckmann, Andreas Hartmann, Stefan Vormfelde, Olivier J David, Bruno Galli, Rita Ramos, Ana Graf & Cristina Lopez Lopez. (2018)
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