MTSA--a Matlab program to fit thermal shift data.
作者： Michèle N. Schulz , Jens Landström , Roderick E. Hubbard
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摘要: Abstract Thermal shift analysis is becoming widely used as a method to identify initial hit ligands for inhibitor discovery or that may aid crystallization. The data software provided by the equipment manufacturers in public domain cumbersome use. We have assessed number of different approaches generate value melting temperature (Tm) and implemented these methods program MTSA within commercial Matlab provide an easy-to-use rapid way process experimental thermal data. outputs Tm, quality fit, deviation from standard value, ΔTm. Our results includes discussion some issues with previous publications this area. conclude most suitable Tm should be taken midpoint determined curve fitted five-parameter equation. In addition, we found ranking ligand binding can obtained using techniques when screening weak such fragments. Therefore, technique caution screening.
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