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Computational Drug Discovery: Molecular Simulation for Medicinal Chemistry

Computational Drug Discovery: Molecular Simulation for Medicinal Chemistry

Hardcover

ChemistryGeneral ComputersGeneral Science

ISBN10: 3111206696
ISBN13: 9783111206691
Publisher: de Gruyter
Published: Oct 7 2024
Pages: 439
Weight: 1.98
Height: 1.00 Width: 6.69 Depth: 9.61
Language: English

Computational methods and understanding computational models are important in modern drug discovery. The book focuses on computational approaches that can improve the development of in silico methodologies. It includes lead hit methods, docking algorithms, computational chiral compounds, structure-based drug design, GROMACS and NAMD, structural genomics, toxicity prediction, enzyme inhibitors and peptidomimetic therapeutics

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Chawla, Pooja A.

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Chemistry