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62 articles for “electrostatic”
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Semiempirical Modeling and Docking Studies of Pyrrole-2-Carboxaldehyde Schiff Bases
Abstract: Docking stimulation of antimicrobial compound SB7 against the active site of Mandelate racemase has been accomplished. This compound was engaged in various types of interactions with the binding site residues. Further, molecular modeling of all the target compounds was performed using MOPAC 2016 and various parameters were identified. SB1, SB2 and SB5 were found to be most stable compounds and had highest dipole moment. The compound SB8 came out to …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 3, Issue 3, 2016 · pp. 9–15 Read article
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A comprehensive study on interactions between protein molecules and their importance in Drug Discovery
Abstract: Protein-protein interactions (PPIs) are extremely specialized chemical and physical interactions that occur when two or more protein molecules come into contact with one another with the help of biochemical processes impacted by interactions between them, such as hydrogen bonding, electrostatic forces, and the hydrogen effect. Many interactions that occur in a specific bimolecular environment within a cell or living creature entail physical contact as well as molecular connections between chains. …
Published in Research & Reviews: A Journal of Drug Formulation, Development and Production · Vol. 10, Issue 3, 2023 · pp. 1–10 Read article