Coronavirus – What we’re doing and how you can help in simple terms
TL;DR: We’re simulating the dynamics of COVID-19 proteins to hunt for new therapeutic opportunities. Scroll to the bottom of the page to see a list of ways you can help.…
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Folding@home update on SARS-CoV-2 (10 Mar 2020)
This is an update on Folding@home’s efforts to assist researchers around the world taking up the global fight against COVID-19. After initial quality control and limited testing phases, Folding@home team…
Read moreInvestigating Cryptic Binding Sites by Molecular Dynamics Simulations.
https://www.ncbi.nlm.nih.gov/pubmed/32134250?dopt=Abstract
Read moreMicrocanonical coarse-graining of the kinetic Ising model.
https://www.ncbi.nlm.nih.gov/pubmed/32113343?dopt=Abstract
Read moreAssessing the accuracy of octanol-water partition coefficient predictions in the SAMPL6 Part II log P Challenge.
https://www.ncbi.nlm.nih.gov/pubmed/32107702?dopt=Abstract
Read moreFolding@home takes up the fight against COVID-19 / 2019-nCoV
We need your help! Folding@home is joining researchers around the world working to better understand the 2019 Coronavirus (2019-nCoV) to accelerate the open science effort to develop new life-saving therapies.…
Read moreStandard 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
Read moreThe 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
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