A brief lecture on Molecular Modeling

MOLECULAR MODELING
Introduction

ž  In designing new bionanomachines, computation works hand in hand with experimentation, often in an iterative manner.
Molecules are designed in the computer, and the best ideas are synthesized and tested. The lessons learned are then applied in the next round of computational design, and so on.
This approach has been highly successful in rational drug design, most notably leading to many of the powerful drugs used to treat AIDS. Computation also often allows exploration of systems that are experimentally inaccessible, providing predictions and directing further research and development.

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Bionanotechnology MOLECULAR MODELING

Fighting Cancer With Nanoshells (powerpoint presentation)

•Moving away from conventional chemotherapeutic agents that activate normal molecular mechanisms to induce cell death, researchers are exploring ways to physically destroy cancerous cells
One such technology “Nanoshells” is being used in the laboratory to thermally destroy tumors .
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Regards:
Muhammad Zain Akram
Bionanotech Presentation 2011

Nanotechnology is…

 Nanotechnology is the engineering of functional systems at the molecular scale. nanotechnology is science, engineering, and technology conducted at the nanoscale, which is about 1 to 100 nanometers.Nanoscience and nanotechnology are the study and application of extremely small things and can be used across all the other science fields, such as chemistry, biology, physics, materials science, and engineering. Nanotechnology is not just a new field of science and engineering, but a new way of looking at and studying.
The ideas and concepts behind nanoscience and nanotechnology started with a talk entitled “There’s Plenty of Room at the Bottom” by physicist Richard Feynman at an American Physical Society meeting at the California Institute of Technology (CalTech) on December 29, 1959, long before the term nanotechnology was used. In his talk, Feynman described a process in which scientists would be able to manipulate and control individual atoms and molecules. Over a decade later, in his explorations of ultraprecision machining, Professor Norio Taniguchi coined the term nanotechnology. It wasn’t until 1981, with the development of the scanning tunneling microscope that could “see” individual atoms, that modern nanotechnology began.

It’s hard to imagine just how small nanotechnology is. One nanometer is a billionth of a meter, or 10-9 of a meter. Here are a few illustrative examples:

  • There are 25,400,000 nanometers in an inch
  • A sheet of newspaper is about 100,000 nanometers thick
  • On a comparative scale, if a marble were a nanometer, then one meter would be the size of the Earth

Nanoscience and nanotechnology involve the ability to see and to control individual atoms and molecules. Everything on Earth is made up of atoms—the food we eat, the clothes we wear, the buildings and houses we live in, and our own bodies.

But something as small as an atom is impossible to see with the naked eye. In fact, it’s impossible to see with the microscopes typically used in a high school science classes. The microscopes needed to see things at the nanoscale were invented relatively recently—about 30 years ago.
Once scientists had the right tools, such as the scanning tunneling microscope (STM) and the atomic force microscope (AFM), the age of nanotechnology was born.
Although modern nanoscience and nanotechnology are quite new, nanoscale materials were used for centuries. Alternate-sized gold and silver particles created colors in the stained glass windows of medieval churches hundreds of years ago. The artists back then just didn’t know that the process they used to create these beautiful works of art actually led to changes in the composition of the materials they were working with.

Today’s scientists and engineers are finding a wide variety of ways to deliberately make materials at the nanoscale to take advantage of their enhanced properties such as higher strength, lighter weight, increased control of light spectrum, and greater chemical reactivity than their larger-scale counterparts.