Results 191 to 200 of about 1,314,905 (219)

Fatigue Crack Initiation and Growth in Nanocrystalline Ni at Multiple Length‐Scales

Advanced Engineering Materials, EarlyView.
Overview of miniaturized in situ SEM fatigue setup and resultant fatigue crack growth data for nanocrystalline Ni. The presented study focuses on the analysis of fatigue crack growth rate (FCGR) in focused ion beam‐notched microcantilevers prepared from nanocrystalline (NC) Ni as a model material.
Igor Moravcik, Alexander Jelinek, Markus Alfreider, Jutta Luksch, Anton Hohenwarter, Florian Schaefer, Christian Motz, Daniel Kiener   +7 more
wiley   +1 more source

Sampling High-Dimensional Conformational Free Energy Landscapes of Active Pharmaceutical Ingredients. [PDF]

J Chem Theory Comput
Ferreira A, Guo R, Marziano I, Salvalaglio M.   +3 more
europepmc   +1 more source

PLNet: Persistent Laplacian neural network for protein-protein binding free energy prediction. [PDF]

Protein Sci
Xu X, Wang C, Wei GW, Chen J.
europepmc   +1 more source

Simultaneous Construction of Free Energy Surfaces via Multisite λ Dynamics and Umbrella Sampling. [PDF]

J Chem Theory Comput
Lai TT, Brooks CL.
europepmc   +1 more source

A matter of psychic life and death: reappraising the death drive and its link to psychosis through the prism of the free energy principle. [PDF]

Front Psychol
Mellor MJ.
europepmc   +1 more source

Universal free-energy scaling of quantum efficiency controlled by acceptor end group strength in organic solar cells.

Laquai F, Karuthedath S, Liu W, Chaturvedi N, Paleti SHK, De Castro C, Hamsa A, Han J, Khan J, Kafourou P, Xu H, Firdaus Y, Sharma A, Althobaiti W, Villalva DR, Ramos N, Martin J, Heeney M, Baran D, Anthopoulos TD, Andrienko D, Gorenflot J, Luke J.   +22 more
europepmc   +1 more source

Chloride Binding in Trimeric Coiled Coils: Free Energy and Structural Determinants from Molecular Simulations. [PDF]

J Chem Inf Model
Nifosì R, Bellucci L.
europepmc   +1 more source

A mechanistic free-energy model explains and predicts sequence- and context-dependent CRISPR–Cas9 activity

Offerhaus HS, Jaskovikaitė I, Jones SK, Depken M.   +3 more
europepmc   +1 more source

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Theory of Nonequilibrium Free Energy Transduction by Molecular Machines

Chemical Reviews, 2020
Aidan Brown, David A Sivak
exaly