While this approach indicated that many ligands populate alternative conformations, limitations in our sampling procedures often resulted in non-physical conformations and could not model complex ...

Porcine reproductive and respiratory syndrome virus (PRRSV) continues to devastate the global swine industry, yet the ...

Achieving predictable biomimetic crystallization using sequence-defined synthetic molecules in mild conditions represents a long-standing challenge in materials synthesis. Herein we report a ...

Molecular modeling has been used to assist in the design of a new structure directing agent (SDA) for the synthesis of the AlPO4 form of STA-2, bis-diazabicyclooctane-butane (BDAB). This is ...