Intrinsically disordered proteins (IDPs) are highly structurally heterogeneous without a specific tertiary structure under physiology conditions and play key roles in the development of human diseases. Due to the characteristics of diverse conformations, as one of the important methods, molecular dynamics simulation can complement information for experimental methods. Because of the enrichment for charged amino acids for IDPs, polarizable force fields should be a good choice for the simulation of IDPs. However, current polarizable force fields are limited in sampling conformer features of IDPs. Therefore, a polarizable force field was released and named Drude2019IDP based on Drude2019 with reweighting and grid-based potential energy correct...
Intrinsically disordered proteins (IDPs) are notoriously challenging to study both experimentally an...
Intrinsically disordered proteins (IDPs) are a class of proteins lacking a well-defined secondary st...
The all-atom additive CHARMM36 protein force field is widely used in molecular modeling and simulati...
Intrinsically disordered proteins (IDPs) or intrinsically disordered regions do not have a fixed ter...
Over 40% of eukaryotic proteomic sequences have been predicted to be intrinsically disordered protei...
Intrinsically disordered proteins are proteins which lack of specific tertiary structure and unable ...
Presented is a polarizable force field based on a classical Drude oscillator framework, currently im...
Intrinsically disordered proteins (IDPs) are widely distributed across eukaryotic cells, playing imp...
Frequently elusive to experimental characterizations, intrinsically disordered proteins (IDPs) can b...
Frequently elusive to experimental characterizations, intrinsically disordered proteins (IDPs) can b...
Intrinsically disordered proteins (IDPs) are a class of proteins with wide-rangingsignificance in si...
Molecular dynamics simulation as an important complement of experiment is widely used to study prote...
Intrinsically disordered proteins (IDPs) have received increasing attention in recent studies due to...
Intrinsically disordered proteins (IDPs) are notoriously challenging to study both experimentally an...
The accuracy of molecular mechanics force fields is of vital importance in biomolecular simulations....
Intrinsically disordered proteins (IDPs) are notoriously challenging to study both experimentally an...
Intrinsically disordered proteins (IDPs) are a class of proteins lacking a well-defined secondary st...
The all-atom additive CHARMM36 protein force field is widely used in molecular modeling and simulati...
Intrinsically disordered proteins (IDPs) or intrinsically disordered regions do not have a fixed ter...
Over 40% of eukaryotic proteomic sequences have been predicted to be intrinsically disordered protei...
Intrinsically disordered proteins are proteins which lack of specific tertiary structure and unable ...
Presented is a polarizable force field based on a classical Drude oscillator framework, currently im...
Intrinsically disordered proteins (IDPs) are widely distributed across eukaryotic cells, playing imp...
Frequently elusive to experimental characterizations, intrinsically disordered proteins (IDPs) can b...
Frequently elusive to experimental characterizations, intrinsically disordered proteins (IDPs) can b...
Intrinsically disordered proteins (IDPs) are a class of proteins with wide-rangingsignificance in si...
Molecular dynamics simulation as an important complement of experiment is widely used to study prote...
Intrinsically disordered proteins (IDPs) have received increasing attention in recent studies due to...
Intrinsically disordered proteins (IDPs) are notoriously challenging to study both experimentally an...
The accuracy of molecular mechanics force fields is of vital importance in biomolecular simulations....
Intrinsically disordered proteins (IDPs) are notoriously challenging to study both experimentally an...
Intrinsically disordered proteins (IDPs) are a class of proteins lacking a well-defined secondary st...
The all-atom additive CHARMM36 protein force field is widely used in molecular modeling and simulati...