Molecular Dynamics Simulation to Study Protein Conformation and Ligand Interaction
Santanu Sasidharan, Vijayakumar Gosu, Timir Tripathi, Prakash Saudagar
Topics & Concepts
Molecular dynamicsForce field (fiction)LEAPSLigand (biochemistry)Flexibility (engineering)Protein dynamicsComputer scienceConformational ensemblesProtein ligandChemistryComputational chemistryStatistical physicsPhysicsArtificial intelligenceMathematicsBiochemistryOrganic chemistryEconomicsReceptorFinancial economicsStatisticsProtein Structure and DynamicsEnzyme Structure and FunctionRNA and protein synthesis mechanisms