Cooperative Changes in Solvent Exposure Identify Cryptic Pockets, Switches, and Allosteric Coupling.
https://www.ncbi.nlm.nih.gov/pubmed/30744991?dopt=Abstract
Read moreCategory: Papers
Fluorinated Aromatic Monomers as Building Blocks to Control α-Peptoid Conformation and Structure.
https://www.ncbi.nlm.nih.gov/pubmed/30739443?dopt=Abstract
Read moreWhat Makes a Kinase Promiscuous for Inhibitors?
https://www.ncbi.nlm.nih.gov/pubmed/30612951?dopt=Abstract
Read moreAdvanced Methods for Accessing Protein Shape-Shifting Present New Therapeutic Opportunities.
https://www.ncbi.nlm.nih.gov/pubmed/30555007?dopt=Abstract
Read moreAtomistic structural ensemble refinement reveals non-native structure stabilizes a sub-millisecond folding intermediate of CheY.
https://www.ncbi.nlm.nih.gov/pubmed/28272524?dopt=Abstract
Read moreSolving the RNA design problem with reinforcement learning.
https://www.ncbi.nlm.nih.gov/pubmed/29927936?dopt=Abstract
Read moreOverview of the SAMPL6 host-guest binding affinity prediction challenge.
https://www.ncbi.nlm.nih.gov/pubmed/30415285?dopt=Abstract
Read morepKa measurements for the SAMPL6 prediction challenge for a set of kinase inhibitor-like fragments.
https://www.ncbi.nlm.nih.gov/pubmed/30406372?dopt=Abstract
Read moreQuantifying Configuration-Sampling Error in Langevin Simulations of Complex Molecular Systems.
https://www.ncbi.nlm.nih.gov/pubmed/30393452?dopt=Abstract
Read moreEscaping Atom Types in Force Fields Using Direct Chemical Perception.
https://www.ncbi.nlm.nih.gov/pubmed/30351006?dopt=Abstract
Read more