| Popis: |
The application of rigorous free energy methodologies to the field of drug discovery is a complex interplay between the description of the methodology in the form of a software (as provided by academic or commercial vendors), and the use of the software in the context of a biological target or an evolving drug discovery effort (as performed by both academic and industrial practitioners). This complex community of individuals, each with their own unique insights, motivations, and foci will contribute to the evolution of this field.To begin to better understand where the community is heading, in this work, we present an analysis of a series of structured questions posed to the alchemistry.org community - composed as it is of practitioners and developers, spanning academia, industry, and the commercial sector. Subsequent analysis of responses to these questions provides insight regarding the possible future direction for this field. The consequences, opportunities, and challenges of these proposed future directions are synthesized and discussed. |
