RELIABLE APPROXIMATION OF LONG RELAXATION TIMESCALES IN MOLECULAR DYNAMICS

Many interesting STOOLS rare events in molecular systems, like ligand association, protein folding or conformational changes, occur on timescales that often are not accessible by direct numerical simulation.Therefore, rare event approximation approaches like interface sampling, Markov state model building, or advanced reaction coordinate-based free

Abstract Background Boxwood blight disease caused by Calonectria henricotiae and C.pseudonaviculata is of ecological and economic significance in cultivated and native ecosystems worldwide.Prior research has focused on understanding the population genetic and genomic diversity of C.henricotiae and C.pseudonaviculata, but gene family evolution in th