Quantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems.
https://www.ncbi.nlm.nih.gov/pubmed/30393452?dopt=Abstract
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Escaping Atom Types in Force Fields Using Direct Chemical Perception.
https://www.ncbi.nlm.nih.gov/pubmed/30351006?dopt=Abstract
Read moreSimulation of spontaneous G protein activation reveals a new intermediate driving GDP unbinding.
https://www.ncbi.nlm.nih.gov/pubmed/30289386?dopt=Abstract
Read moreSimulations of the regulatory ACT domain of human phenylalanine hydroxylase unveil its mechanism of phenylalanine binding.
https://www.ncbi.nlm.nih.gov/pubmed/30287685?dopt=Abstract
Read moreBayesian analysis of isothermal titration calorimetry for binding thermodynamics.
https://www.ncbi.nlm.nih.gov/pubmed/30212471?dopt=Abstract
Read moreAn Open Library of Human Kinase Domain Constructs for Automated Bacterial Expression.
https://www.ncbi.nlm.nih.gov/pubmed/30004690?dopt=Abstract
Read moreElucidating the inhibition of peptidoglycan biosynthesis in Staphylococcus aureus by albocycline, a macrolactone isolated from Streptomyces maizeus.
https://www.ncbi.nlm.nih.gov/pubmed/29805074?dopt=Abstract
Read moreAcquired resistance to IDH inhibition through trans or cis dimer-interface mutations.
https://www.ncbi.nlm.nih.gov/pubmed/29950729?dopt=Abstract
Read moreVariational encoding of complex dynamics.
https://www.ncbi.nlm.nih.gov/pubmed/30011547?dopt=Abstract
Read moreBiomolecular Simulations under Realistic Macroscopic Salt Conditions.
https://www.ncbi.nlm.nih.gov/pubmed/29649876?dopt=Abstract
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