Article 7 computer model controlled study human 6 Humans 5 computer simulation 4 molecular dynamics 4 Computer Simulation 3 Markov chain 3 Stochastic Processes 3 chemistry 3 conformational transition 3 procedures 3 stochastic model 3 HIV Infections 2 Human immunodeficiency virus infection 2 Male 2 Molecular Dynamics Simulation 2 algorithm 2 concentration (parameter) 2 crystal structure 2 enzyme structure 2 male 2 metabolism 2 molecular docking 2 physiology 2 protein function 2 reactive oxygen metabolite 2 simulation 2 statistical model 2