Standard state free energies, not pKas, are ideal for describing small molecule protonation and tautomeric states.
https://www.ncbi.nlm.nih.gov/pubmed/32052350?dopt=Abstract
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The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.
https://www.ncbi.nlm.nih.gov/pubmed/31984465?dopt=Abstract
Read moreSpatial and temporal alterations in protein structure by EGF regulate cryptic cysteine oxidation.
https://www.ncbi.nlm.nih.gov/pubmed/31964804?dopt=Abstract
Read moreAdaptive Markov state model estimation using short reseeding trajectories.
https://www.ncbi.nlm.nih.gov/pubmed/31941308?dopt=Abstract
Read moreReconciling simulated ensembles of apomyoglobin with experimental HDX data using Bayesian inference and multi-ensemble Markov State Models.
https://www.ncbi.nlm.nih.gov/pubmed/31917926?dopt=Abstract
Read moreThe Cap-Snatching SFTSV Endonuclease Domain Is an Antiviral Target.
https://www.ncbi.nlm.nih.gov/pubmed/31914382?dopt=Abstract
Read moreThanks for a great 2019
Thanks to everyone who has contributed to Folding@home over the past year! We greatly appreciate the computer time, human time, and financial resources you contribute to support our science. With…
Read moreOctanol-water partition coefficient measurements for the SAMPL6 blind prediction challenge.
https://www.ncbi.nlm.nih.gov/pubmed/31858363?dopt=Abstract
Read moreTax deductible gifts to FAH
As the end of the year approaches, please consider supporting Folding@home by making a tax deductible gift through Washington University at this link (please make sure Folding@home is specified under…
Read moreUpload issues
We’re working on resolving issues with uploads to servers at Temple University (155.247.166.*). There appears to be a combination of 1) networking issues and 2) pausing of work units resulting…
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