Predicting the Functions and Specificity of Triterpenoid Synthases: A Mechanism-Based Multi-intermediate Docking Approach
نویسندگان
چکیده
Terpenoid synthases construct the carbon skeletons of tens of thousands of natural products. To predict functions and specificity of triterpenoid synthases, a mechanism-based, multi-intermediate docking approach is proposed. In addition to enzyme function prediction, other potential applications of the current approach, such as enzyme mechanistic studies and enzyme redesign by mutagenesis, are discussed.
منابع مشابه
A multi-lined behavior simulation approach for liquefaction of earth-dam
A few of the presented soil behavior models are capable of predicting the triggering and post liquefaction and also shear band mechanism through the soil media. The assessment of earth-dam body behavior as a soil structure made of cohesive soil in core and non-cohesive soil as the core supports, including water interaction at upstream through earthquake upon a multi-line constitutive equations ...
متن کاملDesigning a multi-objective nonlinear cross-docking location allocation model using genetic algorithm
In this study, a cross-docking system is designed at strategic and tactical levels. For making the strategic decisions, a multi-objective nonlinear location allocation model for cross-docks is presented based on a distri-bution location allocation model by Andreas Klose and Andreas Drexl. The model is further developed to in-clude the whole supply chain members and the objective functions are w...
متن کاملQuantum Mechanical Approach for the Catalytic Mechanism of Dinuclear Zinc Metallo-β-lactamase by Penicillin and Cephalexin: Kinetic and Thermodynamic Points of View
Metallo-β-lactamases (MβL) catalyzing the hydrolytic cleavage of the four-membered β-lactam ring in broad spectrum of antibiotics and therefore inactivating the drug; However, the mechanism of these enzymes is still not well understood. Electronic structure and electronic energy of metallo-β-lactamase active center, two inhibitors of this enzyme including penicillin and cephalexin, and differen...
متن کاملAERO-THERMODYNAMIC OPTIMIZATION OF TURBOPROP ENGINES USING MULTI-OBJECTIVE GENETIC ALGORITHMS
In this paper multi-objective genetic algorithms were employed for Pareto approach optimization of turboprop engines. The considered objective functions are used to maximize the specific thrust, propulsive efficiency, thermal efficiency, propeller efficiency and minimize the thrust specific fuel consumption. These objectives are usually conflicting with each other. The design variables consist ...
متن کاملPredicting of Empathy Based on The Components of Executive Functions in Children with Attention Deficit / Hyperactivity Disorder Symptoms
The aim of the present study was to predict empathy based on the Componentchr('39')s executive functions in children with attention-deficit / hyperactivity disorder symptoms. The method of this study was descriptive and correlation. The statistical population included elementary school male students (ages 8 to 12 years) with attention-deficit/hyperactivity disorder symptoms in Tabriz in the aca...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
دوره 10 شماره
صفحات -
تاریخ انتشار 2014