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Journal of Biomolecular Structure and Dynamics Volume 34, 2016 - Issue 1
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Articles

Insights into molecular interactions between CaM and its inhibitors from molecular dynamics simulations and experimental data

Martin González-AndradeFacultad de Medicina, Universidad Nacional Autónoma de México (UNAM), México Distrito Federal, CP04510, México;Unidad de Vinculación de la Facultad de Medicina, UNAM en el INMEGEN, Secretaría de Salud, México Distrito Federal, CP14610, MéxicoCorrespondence[email protected]
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,
Rogelio Rodríguez-SotresFacultad de Química, Universidad Nacional Autónoma de México (UNAM), México Distrito Federal, CP04510, MéxicoView further author information
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Abraham Madariaga-MazónFacultad de Química, Universidad Nacional Autónoma de México (UNAM), México Distrito Federal, CP04510, MéxicoView further author information
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José Rivera-ChávezFacultad de Química, Universidad Nacional Autónoma de México (UNAM), México Distrito Federal, CP04510, MéxicoView further author information
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Rachel MataFacultad de Química, Universidad Nacional Autónoma de México (UNAM), México Distrito Federal, CP04510, MéxicoView further author information
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Alejandro Sosa-PeinadoFacultad de Medicina, Universidad Nacional Autónoma de México (UNAM), México Distrito Federal, CP04510, MéxicoView further author information
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Luis del Pozo-YaunerUnidad de Vinculación de la Facultad de Medicina, UNAM en el INMEGEN, Secretaría de Salud, México Distrito Federal, CP14610, MéxicoView further author information
&
Imilla I. Arias-OlguínUnidad de Biología Molecular y Medicina Genómica del Instituto de Investigaciones Biomédicas de la Universidad Nacional Autónoma de México (UNAM), México Distrito Federal, CP04510, México;Instituto Nacional de Ciencias Médicas y Nutrición Salvador Zubirán, México Distrito Federal, CP14000, MéxicoView further author information
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Pages 78-91 | Received 16 Dec 2014, Accepted 19 Feb 2015, Published online: 09 Apr 2015

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Pramod Avti, Arushi Chauhan, Nishant Shekhar, Manisha Prajapat, Phulen Sarma, Hardeep Kaur, Anusuya Bhattacharyya, Subodh Kumar, Ajay Prakash, Saurabh Sharma & Bikash Medhi. (2022) Computational basis of SARS-CoV 2 main protease inhibition: an insight from molecular dynamics simulation based findings. Journal of Biomolecular Structure and Dynamics 40:19, pages 8894-8904.
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Alejandro Sosa-Peinado, Erika León-Cruz, Isabel Velázquez-López, Deyamira Matuz-Mares, Patricia Cano-Sánchez & Martin González-Andrade. (2022) Theoretical-experimental studies of calmodulin-peptide interactions at different calcium equivalents. Journal of Biomolecular Structure and Dynamics 40:6, pages 2689-2700.
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Articles from other publishers (8)

José A. Gutiérrez-González, Araceli Pérez-Vásquez, Martín González-Andrade, Annia Galano, José L. Villaseñor & Rachel Mata. (2023) Calmodulin-Targeting Molecules from Ageratina grandifolia . Journal of Natural Products 86:11, pages 2562-2570.
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Ya Zhang, Jifa Zhang, Jiaxing Wang, Hao Chen, Liang Ouyang & Yuxi Wang. (2022) Targeting GRK2 and GRK5 for treating chronic degenerative diseases: Advances and future perspectives. European Journal of Medicinal Chemistry 243, pages 114668.
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Alejandro Sosa-Peinado, Karina Fructuoso-García, L. X. Vásquez-Bochm & Martin González-Andrade. (2022) Bisindolylmaleimides New Ligands of CaM Protein. Molecules 27:21, pages 7161.
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L. X. Vásquez-Bochm, Isabel Velázquez-López, Rachel Mata, Alejandro Sosa-Peinado, Patricia Cano-Sánchez & Martin González-Andrade. (2021) Application of a Fluorescent Biosensor in Determining the Binding of 5-HT to Calmodulin. Chemosensors 9:9, pages 250.
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Navaneet Chaturvedi, Khurshid Ahmad, Brijesh Singh Yadav, Eun Ju Lee, Subash Chandra Sonkar, Ninoslav Marina & Inho Choi. (2020) Understanding Calcium-Dependent Conformational Changes in S100A1 Protein: A Combination of Molecular Dynamics and Gene Expression Study in Skeletal Muscle. Cells 9:1, pages 181.
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Tyler S. Beyett, Amy E. FraleyEmily LabuddeDhabaleswar PatraRyan C. ColemanAkito EguchiAlisa GlukhovaQiuyan ChenRobert M. WilliamsWalter J. KochDavid H. Sherman & John J. G. Tesmer. (2019) Perturbation of the interactions of calmodulin with GRK5 using a natural product chemical probe. Proceedings of the National Academy of Sciences 116:32, pages 15895-15900.
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Changhao Wang, D'Artagnan Greene, Li Xiao, Ruxi Qi & Ray Luo. (2018) Recent Developments and Applications of the MMPBSA Method. Frontiers in Molecular Biosciences 4.
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A. F. Marmolejo-Valencia & K. Mart?nez-Mayorga. (2017) Allosteric modulation model of the mu opioid receptor by herkinorin, a potent not alkaloidal agonist. Journal of Computer-Aided Molecular Design 31:5, pages 467-482.
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