Acquired resistance to IDH inhibition through trans or cis dimer-interface mutations.
https://www.ncbi.nlm.nih.gov/pubmed/29950729?dopt=Abstract
Read moreCategory: Papers
Variational 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
Read moreBinding Modes of Ligands Using Enhanced Sampling (BLUES): Rapid Decorrelation of Ligand Binding Modes via Nonequilibrium Candidate Monte Carlo.
https://www.ncbi.nlm.nih.gov/pubmed/29486559?dopt=Abstract
Read moreModel Selection Using BICePs: A Bayesian Approach for Force Field Validation and Parameterization.
https://www.ncbi.nlm.nih.gov/pubmed/29518328?dopt=Abstract
Read moreQuantitative self-assembly prediction yields targeted nanomedicines.
https://www.ncbi.nlm.nih.gov/pubmed/29403054?dopt=Abstract
Read moreTransferable neural networks for enhanced sampling of protein dynamics.
Transferable neural networks for enhanced sampling of protein dynamics. J Chem Theory Comput. 2018 Mar 12;: Authors: Sultan MM, Wayment-Steele HK, Pande VS Abstract Variational auto-encoder frameworks have demonstrated success…
Read moreElectron Cryo-microscopy Structure of Ebola Virus Nucleoprotein Reveals a Mechanism for Nucleocapsid-like Assembly.
https://www.ncbi.nlm.nih.gov/pubmed/29474922?dopt=Abstract
Read moreA dynamic mechanism for allosteric activation of Aurora kinase A by activation loop phosphorylation.
https://www.ncbi.nlm.nih.gov/pubmed/29465396?dopt=Abstract
Read moreTheoretical restrictions on longest implicit time scales in Markov state models of biomolecular dynamics.
Theoretical restrictions on longest implicit time scales in Markov state models of biomolecular dynamics. J Chem Phys. 2018 Jan 28;148(4):044111 Authors: Sinitskiy AV, Pande VS Abstract Markov state models (MSMs)…
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