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Rational MD simulations for improvement the affinity of nanobody against PlGF (placenta growth factor): mutagenesis based on electrostatic interactions |
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| Authors: | Mehdi Forouzesh Adil Askerovich Mamedov Amirasad Pourabadeh Mojgan Hosseini |
| Institution: | 1. Legal Medicine Organization of Iran, Legal Medicine Research Center, Legal Medicine Organization, Tehran, Iran;2. Department of Pediatric Dentistry and Orthodontics, I.M. Sechenov First Moscow State Medical University, Moscow, Russian Federation;3. Department of Textile Engineering, Islamic Azad University, Yazd Branch, Yazd, Iran;4. Department of Science, Islamshahr Branch, Islamic Azad University, Islamshahr, Tehran, Iran |
| Abstract: | Abbreviations COM center of mass distance MD molecular dynamics MM-PBSA Molecular Mechanics Poisson–Boltzmann Surface Area Nb nanobody PlGF placenta growth factor Rg radius of gyration RMSD root mean-square deviation SASA solvent-accessible surface area VEGF vascular endothelial growth factor |
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