Dockomatic: an Emerging Resource to Manage Molecular Docking

نویسندگان

  • Reed B. Jacob
  • Steve A. Jacob
چکیده

.................................................................................................................... vii LIST OF TABLES ............................................................................................................. x LIST OF FIGURES .......................................................................................................... xi LIST OF ABBREVIATIONS ......................................................................................... xiii CHAPTER ONE: INTRODUCTION TO HTVS AND MOLECULAR DOCKING PROGRAMS ......................................................................................................................

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

Homology modeling and molecular docking for the science curriculum.

DockoMatic 2.0 is a powerful open source software program (downloadable from sourceforge.net) that allows users to utilize a readily accessible computational tool to explore biomolecules and their interactions. This manuscript describes a practical tutorial for use in the undergraduate curriculum that introduces students to macromolecular structure creation, ligand binding calculations, and vis...

متن کامل

Assessing the utility and limitations of high throughput virtual screening

Due to low cost, speed, and unmatched ability to explore large numbers of compounds, high throughput virtual screening and molecular docking engines have become widely utilized by computational scientists. It is generally accepted that docking engines, such as AutoDock, produce reliable qualitative results for ligand-macromolecular receptor binding, and molecular docking results are commonly re...

متن کامل

Accessible High-Throughput Virtual Screening Molecular Docking Software for Students and Educators

We survey low cost high-throughput virtual screening (HTVS) computer programs for instructors who wish to demonstrate molecular docking in their courses. Since HTVS programs are a useful adjunct to the time consuming and expensive wet bench experiments necessary to discover new drug therapies, the topic of molecular docking is core to the instruction of biochemistry and molecular biology. The a...

متن کامل

Synthesis novel bis-Coumarin derivatives as potential acetylcholinestrase inhibitors: An in vitro, molecular docking, and molecular dynamics simulations study

Alzheimer's disease is an irreversible and progressive brain disorder that slowly destroys memory and thinking skills and ultimately the ability to do the simplest things and can lead to death. Cholinesterases (ChEs) play an important role in controlling cholinergic transmission, and subsequently, by inhibiting CHEs, acetylcholine levels in the brain are elevated. Coumarins have been shown to e...

متن کامل

DNA groove binding of an asymmetric cationic porphyrin and its Cu(II) complex: Resolved by spectroscopic, viscometric and molecular docking studies

In the present study, the interaction between water-soluble cationic asymmetric porphyrin, 5-(1-Hexadecyl pyridinium-4-yl)-10, 15, 20-tris (1-Butyl pyridinium-4-yl) Porphyrin Chloride, and its copper (II) derivative with calf thymus DNA (CT-DNA) were studied by means of spectroscopic techniques, viscosity measurements and molecular docking. The monitoring of the changes in visible absorbance sp...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

برای دانلود متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

عنوان ژورنال:

دوره   شماره 

صفحات  -

تاریخ انتشار 2012