Author: Saba Ismail; Sajjad Ahmad; Syed Sikander Azam
Title: Immuno-informatics Characterization SARS-CoV-2 Spike Glycoprotein for Prioritization of Epitope based Multivalent Peptide Vaccine Document date: 2020_4_12
ID: 3jmo35jc_64
Snippet: The net free energy of binding (ΔTOTAL) in both GB and PB models are revealed favorable MEPVC-TLR3 complex in pure water. The net GB and PB energy for the MEPVC-TLR3 complex is -53.81 kcal/mol and -89.02 kcal/mol, respectively. To this energy, high contribution was noticed from gas phase energy (ΔG gas) compared to highly insignificant contributions from solvation energy (ΔG solv). In GB model, the ΔG gas energy for the system is -1889.76 kca.....
Document: The net free energy of binding (ΔTOTAL) in both GB and PB models are revealed favorable MEPVC-TLR3 complex in pure water. The net GB and PB energy for the MEPVC-TLR3 complex is -53.81 kcal/mol and -89.02 kcal/mol, respectively. To this energy, high contribution was noticed from gas phase energy (ΔG gas) compared to highly insignificant contributions from solvation energy (ΔG solv). In GB model, the ΔG gas energy for the system is -1889.76 kcal/mol whereas in PB model this energy is -1889.76 kcal/mol. The ΔG author/funder. All rights reserved. No reuse allowed without permission.
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