Molecular Design of Artificial Enzyme for Stereoselective Molecular Recognition.

Artificial neural networks for computer-based molecular design.

The theory of artificial neural networks is briefly reviewed focusing on supervised and unsupervised techniques which have great impact on current chemical applications. An introduction to molecular descriptors and representation schemes is given. In addition, worked examples of recent advances in this field are highlighted and pioneering publications are discussed. Applications of several type...

Computational Design, Molecular Docking Study and Toxicity Prediction of Some Novel Pralidoxime Derivatives as reactivators of acetyl cholinesterase enzyme

Abstract Background & Objective: oximes as Acetylcholinesterase (AChE) reactivators were developed for the treatment of organophosphate compounds (OPCs) intoxication. Oximes also bind to the active site of AChE, simultaneously acting as reversible inhibitors. Organophosphorus compounds (OPCs) such as soman, sarin, or VX react with acetyl cholinesterase irreversibly. In this research, a group o...

molecular and physiological characterizations of floral scent production in rosa damascena mill.

گل محمدی (r. damascena mill.)مهمترین گونه ای است که در تولید گلاب، عطر و اسانس، در صنعت عطرسازی و دارویی کاربرد دارد. با وجود اهمیت عطر گل محمدی، پژوهش های مولکولی و بیوشیمیایی عطر گل این گونه هنوز در مراحل ابتدایی است. در این پژوهش، ویژگی های مولکولی و فیزیولوژیکی تولید عطر در گل محمدی در آزمایش های مختلف مورد بررسی قرار گرفتند. در آزمایش اول، پژوهشی به منظور بررسی تنوع شیمیایی اسانس میان 44 ت...

investigating the feasibility of a proposed model for geometric design of deployable arch structures

deployable scissor type structures are composed of the so-called scissor-like elements (sles), which are connected to each other at an intermediate point through a pivotal connection and allow them to be folded into a compact bundle for storage or transport. several sles are connected to each other in order to form units with regular polygonal plan views. the sides and radii of the polygons are...

Artificial Molecular Machines