Recent Perspectives in Molecular Docking for Research

Registration ID: IJNRD_190880

Published ID: IJNRD2304173

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Ms. Anuja Awasthi , Shreesh Tiwari

Abstract: With the progress in computational power and developing approaches, new horizons are now opening for accurate prediction of molecular binding affinity. In the current book chapter, recent strategies for Computer-Aided Drug Designing (CADD) including virtual screening and molecular docking, encompassing molecular dynamics simulations, and binding free energy calculation methods are discussed. Despite the emergence of more degrees of freedom, several flexible conglomerates have not been well developed, and there are still computational limitations to solve, including several features in the focused technique. The present goals, such as molecular flexibility, binding entropy, and the presence of ions and solute conditions, are revisited with the purpose of anticipating the challenges, goals, and achievements in this field over the next few years or decades. Keywords: CADD, Molecular Docking, Entropy.

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Ms. Anuja Awasthi & Shreesh Tiwari (April-2023). Recent Perspectives in Molecular Docking for Research. INTERNATIONAL JOURNAL OF NOVEL RESEARCH AND DEVELOPMENT, 8(4), b511-b514. https://ijnrd.org/papers/IJNRD2304173.pdf

Volume 8 Issue 4, April-2023

Pages : b511-b514

Paper Reg. ID: IJNRD_190880

Published Paper Id: IJNRD2304173

Downloads: 000121986

Research Area: Pharmacy

Country: Indore , Madhya Pradesh , India

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