Goordeen, Ashley

Molecular modeling enables an individual to explore the nature of various molecules and the interaction between molecules using only a computer and their fingertips. This computer technology is an expanding field and has a plethora of applications ranging from teaching to the design of new drugs. Molecular modeling allows studying through calculation and visualization of molecular systems varying in size from minute chemical systems to hefty biological ones. The system analyzed in this study is that of gp120, the envelope glycoprotein on HIV-1 essential for viral entry into cells. HIV-1’s invasive success can be attributed to its ability to conformationally mask itself from the immune system. It achieves this because of the highly glycosylated surface of gp120. Using HyperChem Release 7, Visual Molecular Dynamics (VMD) 1.9.1, and NAMD 2.9, the glycosylated surface of gp120 and its molecular dynamics were examined to confirm its effectiveness.