直觉没有 发表于 2025-3-30 11:18:53
Ab Initio Investigation of Photochemical Reaction Mechanisms: From Isolated Molecules to Complex Enn isolated molecules are outlined. In the following sections, such methods and concepts are further developed to allow the investigation of photo-induced reactions in solution and in the protein environment.STAT 发表于 2025-3-30 14:42:06
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Applications of Computational Methods to Simulations of Protein Dynamics,cally disordered proteins, protein-drug interactions, ligand transport phenomena, ion channel activity, molecular machine mechanics, origins of molecular diseases, and simulations of single-molecule AFM experiments are addressed. Special attention is devoted to emerging methods of enhanced molecular dynamics.EXPEL 发表于 2025-3-30 22:09:06
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