Investigating Cryptic Binding Sites by Molecular Dynamics Simulations.
https://www.ncbi.nlm.nih.gov/pubmed/32134250?dopt=Abstract
Read moreCategory: Papers
Microcanonical 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 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
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 moreOctanol-water partition coefficient measurements for the SAMPL6 blind prediction challenge.
https://www.ncbi.nlm.nih.gov/pubmed/31858363?dopt=Abstract
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