Do Residue-Specific Force Fields have a place in molecular dynamics simulation of proteins?

Itis crucial to identify the target on which these new medications will act during the drug discovery process. Typically, specific enzymes or protein structures are chosen as targets. It is usually not difficult to retrieve their structures because a vast number of protein structures have long been available in relevant libraries, such as the Protein Data Bank. When you look at the sources of structure information in the same Protein Data Bank, you can see that crystal diffraction methods were used to obtain the majority of the structures. In comparison to other approaches, this one is relatively straightforward and inexpensive. However, it sometimes happens that not all protein substances can be crystallized and, therefore, their structures can be obtained by diffraction methods. In the absence of other methods of determining the structure, <a href="https://chem-space.com/services#computational-services" rel="noopener ugc nofollow" target="_blank">computer modeling</a> methods can help in this case. <a href="https://medium.com/@mykyta.prud/do-residue-specific-force-fields-have-a-place-in-molecular-dynamics-simulation-of-proteins-662e8ed2cefb">Website</a>