… the human serum albumin were found in a cluster analysis of … from molecular dynamics)
principal component analysis is … We additionally performed molecular dynamics simulations …

… In this respect, the purpose of the current work was to analyze in greater detail the dynamic
properties of HSA, starting from the crystal structure [13], to get information on the structural …

Atomistic molecular dynamics simulations of human serum albumin in the presence and
absence of disulfide bonds are presented. Simulations of 70 ns duration provide information on …

… Molecular docking results indicated that the Erlo has more … Molecular dynamics simulation
analysis showed that the … , molecular docking and molecular dynamics techniques. However, …

… We thus employed Molecular Dynamics (MD) simulations to reveal structural and dynamic
… BSA and CSA were analysed in comparison with that of human serum albumin (HSA) from …

… Molecular docking analysis and thermodynamic parameters demonstrated that this … via
molecular dynamics analysis in the simulated environment. On the basis of molecular docking, …

… human serum albumin (HSA) was investigated using spectroscopic methods, molecular docking
techniques, and molecular dynamic … Competitive binding and molecular docking studies …

… We used molecular dynamics and metadynamics to analyze the interactions of [BMIM][BF
4 … We have shown that some limitations of molecular dynamics, with regard to proteins …

… Human serum albumin (HSA) is one of the blood plasma proteins, which plays an important
… using molecular docking softwares. On the other hand, molecular dynamics simulations …

… –protein interactions with a high level of molecular detail, theoretical binding energy … analyze
biological processes rapidly and efficiently. These also enable the calculation of molecular …