Poster Presenter

DEVELOPMENT OF A NOVEL DOCKING SCORING FUNCTION FOR DRUG DISCOVERY
Young-Mook Kang, Chang Joon Lee, Kwang-Hwi Cho And Kyoung Tai No
Korea

Today, Computer Assisted Approaches Are Indispensable Prerequisites To Support The Success Of Drug Treatment. Also The Effective Integration Of Detailed Known Molecular Structures With Computational, Biological And Medicinal Chemistry And Bioinformatics Transform The Dream Of Drug Discovery Into Reality. One Of The Most Important Technologies For Computational Drug Design Is An Effective Docking Simulation Method To Find Molecules That Efficaciously Interact With Their Target Molecules. Although The Docking Method Have Been Proposed Several Problems Yet, Many New Approaches Are Introduced To Solve Them.

Based On Above Reasons, Previous To The Work, We Have Developed Several Molecular Interaction Models Which Atomic Charge (Modified Partial Equalization Of Orbital Electronegativity), Atomic Polarizability (Charge Dependence Effective Atomic Polarizability), Hydrogen-Bond Energy And Salvation Free Energy For Improved Molecular Modeling. We Will Introduce A New Scoring Function Or Potential Energy Function That Named “Self Balanced Force Field(SBFF)”. SBFF Is Consisted Of Prior Developed Molecular Interaction Models Which Balanced By Themselves. SBFF Will Be Useful And Contributive To Exact Biological Mechanism Prediction Using Several Computational Methods That Are Molecular Dynamics, Protein-Ligand Docking And Protein-Protein Docking Simulations For Drug Discovery Progress.