Exploring PHD fingers and H3K4me0 interactions with molecular dynamics simulations and binding free energy calculations: AIRE-PHD1, a comparative study.

Here we evaluate the K18A mutation on ShK, and calculate the change in binding free energy associated with this mutation using the path-independent free energy perturbation

Antes mesmo fazer contato com a BEG, a Bosch Colômbia testou diferentes tipos de soluções para implementação de controle e monitoramento de edificações. Tais soluções basicamente

The atomic and molecular calculations performed here (with the CISD and B3LYP methods) show that the calculated total energy obtained with the PGC-6Z basis sets (augmented

Physical properties of wood fiber substrates and their effect on growth of lettuce seedlings (Lactuca sativa L... Suitability of wood fiber substrate for production of

Embora o Mapa da violência 1 (2015) seja resultado de estudos governamentais a fim de compreender a dimensão, adentrar no perfil das vítimas e agressores, no intuito

Existing energy simulation tools are not used by architects regularly because they have shortcomings such as: excessive data input requirement, non intuitive user

We have carried out a protocol in computational biochemistry including molecular dynamics (MD) simulations and MM/ GBSA free energy calculations on the complex between the

In the ligand’s dissociation process, the analyses of the total interaction energy between NAM and two proteins reveal that the van der Waals (Vdw) interaction is dominant relative