Insights from incorporating quantum computing into drug design workflows - Lau, Bayo; Emani, Prashant S; Chapman, Jackson; Yao, Lijing; Lam, Tarsus; Merrill, Paul; Warrell, Jonathan; Gerstein, Mark B; Lam, Hugo Y K (Bioinformatics (Oxford, England), 2023)
Keywords: Availability; Bioinformatics; CAD; Computer aided design; Computers; Computing Methodologies; Coronaviruses; COVID-19; Design; Drug Design; Drug development; Humans; Learning algorithms; Machine learning; Modules; Molecular docking; Molecular dynamics; Molecular Dynamics Simulation; Mutation; Neural networks; Original Paper; Python; Quantum computers; Quantum computing; Quantum Theory; Qubits (quantum computing); SARS-CoV-2; Severe acute respiratory syndrome coronavirus 2; Software; Workflow