Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2
Cutrona KJ, Newton AS, Krimmer SG, Tirado-Rives J, Jorgensen WL. Metadynamics as a Postprocessing Method for Virtual Screening with Application to the Pseudokinase Domain of JAK2. Journal Of Chemical Information And Modeling 2020, 60: 4403-4415. PMID: 32383599, PMCID: PMC7927942, DOI: 10.1021/acs.jcim.0c00276.Peer-Reviewed Original Research