Molecular Dynamics Simulation in Drug Discovery: Opportunities and Challenges
Rohit Shukla, Timir Tripathi
Topics & Concepts
Drug discoveryBiopharmaceuticalSerendipityIdentification (biology)Flexibility (engineering)Computer scienceDrug developmentProcess (computing)DrugBiochemical engineeringField (mathematics)Computational biologyEngineeringBioinformaticsPharmacologyMedicineBiotechnologyBiologyPure mathematicsMathematicsOperating systemBotanyStatisticsPhilosophyEpistemologyProtein Structure and DynamicsComputational Drug Discovery MethodsEnzyme Structure and Function