Austin J. Jarrett

CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein

Pegah Ghiabi, John J. Irwin, Austin J. Jarrett, Spencer Gardiner et autres

The CACHE challenges are a series of prospective benchmarking exercises to evaluate progress in the field of computational hit-finding. Here we report the results of the inaugural CACHE challenge in which 23 computational teams each selected up to 100 commercially available compounds …

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CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein

Fengling Li, Suzanne Ackloo, C.H. Arrowsmith, Fuqiang Ban et autres

The CACHE challenges are a series of prospective benchmarking exercises to evaluate progress in the field of computational hit-finding. Here we report the results of the inaugural CACHE challenge in which 23 computational teams each selected up to 100 commercially available compounds …

ca, de, cz, jp, fr, it, us, se, dk, cn (code pays fourni par la source)

CACHE Challenge #1: targeting the WDR domain of LRRK2, a Parkinson’s Disease associated protein

Fengling Li, Suzanne Ackloo, C.H. Arrowsmith, Fuqiang Ban et autres

ABSTRACT The CACHE challenges are a series of prospective benchmarking exercises meant to evaluate progress in the field of computational hit-finding. Here we report the results of the inaugural CACHE #1 challenge in which 23 computational teams each selected up to 100 …

ca, us, de, cz, jp, fr, it, se, dk, cn (code pays fourni par la source)

Training undergraduate research assistants with an outcome-oriented and skill-based mentoring strategy

Dennis Della Corte, Connor J. Morris, W.M. Billings, Jacob Stern et autres

Effective mentoring of undergraduate students is a growing requirement for the promotion of faculty at many universities. It is often challenging for young investigators to define a successful mentoring strategy, partially due to the absence of a broadly accepted definition of what …

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Coming of age of Allotrope: Proceedings from the Fall 2020 Allotrope Connect

Todd Millecam, Austin J. Jarrett, Naomi Young, Dana E. Vanderwall et autres

The Allotrope Foundation (AF) is a group of pharmaceutical, device vendor, and software companies that develops and releases technologies [the Allotrope Data Format (ADF), the Allotrope Foundation Ontology (AFO), and the Allotrope Data Models (ADM)] to simplify the exchange of electronic data. …

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Protein Dynamics from Distance Predictions

Austin J. Jarrett, Connor J. Morris, Dennis Della Corte

Current computational methods for enzyme design

Talmage L. Coates, Naomi Young, Austin J. Jarrett, Connor J. Morris et autres

Computational enzyme design has made great strides over the last five years. Traditional methods of enzyme design require synthesis and evaluation of many mutations. Computational enzyme design has emerged as a powerful tool to predict how specific mutations modify a protein’s activity, …

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Methods in Computational Enzyme Design

Austin J. Jarrett