C 6 F 12 O has good insulating properties and the potential to be used as an medium in gas-insulated equipment. Previous researches show that thermodynamic transport parameters can reflect microscopic of plasma evaluate physical gas during discharge. In this paper, are calculated based on LTE conditions. According type particles participating reaction thermal parameters, number density particle...

Background: fluoxetine is a commonly used antidepressant in clinic. There are many synthetic methods, but the total yield not very high. Physical property data of compounds often scientific research, pharmaceutical process design, chemical and production, synthesis resolution chiral drugs, etc., distinct accurate estimation physical will greatly save time effort. In order to provide supp...

We present a general method of derivation of a potential for protein folding. At a given temperature, the parameters of the potential are obtained by imposing a required thermodynamic stability to a dataset of sequences on their respective native structures, determined experimentally or otherwise. As test cases, we recover exactly the pairwise energy parameters for two simple lattice models in ...

Prediction of thermodynamic parameters of protein-protein and antigen-antibody complex formation from high resolution structural parameters has recently received much attention, since an understanding of the contributions of different fundamental processes like hydrophobic interactions, hydrogen bonding, salt bridge formation, solvent reorganization etc. to the overall thermodynamic parameters ...

The thermodynamic contributions to duplex formation of all 32 possible single-nucleotide dangling ends on a Watson-Crick pair are reported. In most instances, dangling ends are stabilizing with free energy contributions ranging from +0.48 (GT(A)) to-0.96 kcal/mol (). In comparison, Watson-Crick nearest-neighbor increments range from -0. 58 (TA/AT) to -2.24 (GC/CG) kcal/mol. Hence, in some cases...