Determining the role of missense mutations in the POU domain of HNF1A that reduce the DNA-binding affinity: A computational approach حسب P., Sneha

"…Triplicate runs of molecular dynamic (MD) simulations (50ns) revealed smaller changes in patterns of deviation, fluctuation, and compactness, in complexes containing the R131Q and R131W mutations, compared to complexes containing the R203C mutant complex. …"
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A computational model to predict the structural and functional consequences of missense mutations in O6-methylguanine DNA methyltransferase حسب Thirumal Kumar, D

"…Considering true positives, true negatives, false positives, and false negatives, three mutations (Y114E, R128G, and C145A) showed "loss of DNA repair activity," and were analyzed further using molecular dynamics simulations (MDS) using GROMACS for 50ns. …"
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Structural analysis of missense mutations in galactokinase 1 (GALK1) leading to galactosemia type-2. حسب P, Sneha

"…Molecular docking analysis revealed a decrease in interaction between the protein and ATP in all the 3 mutations, and molecular dynamic simulations of 50 ns showed a loss of stability and compactness in the mutant proteins. …"
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