enumerating pathways of proton abstraction based on a spatial and electrostatic analysis of residues in the catalytic site列举通路的质子抽象基于空间和静电残留分析催化部位.pdfVIP

Enumerating Pathways of Proton Abstraction Based on a Spatial and Electrostatic Analysis of Residues in the Catalytic Site Sandeep Chakraborty* Department of Biological Sciences, Tata Institute of Fundamental Research, Mumbai, India Abstract The pathways of proton abstraction (PA), a key aspect of most catalytic reactions, is often controversial and highly debated. Ultrahigh-resolution diffraction studies, molecular dynamics, quantum mechanics and molecular mechanic simulations are often adopted to gain insights in the PA mechanisms in enzymes. T