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significant function » significant functional (Expand Search), significant duration (Expand Search), significant connection (Expand Search)
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function theory » functional theory (Expand Search)
significant function » significant functional (Expand Search), significant duration (Expand Search), significant connection (Expand Search)
changes decrease » larger decrease (Expand Search), change increases (Expand Search)
largest decrease » largest decreases (Expand Search), larger decrease (Expand Search), marked decrease (Expand Search)
function theory » functional theory (Expand Search)
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Density Functional Theory Calculations to Investigate the Role Played by an Aspartate Dyad in Hsp60-Catalyzed ATP Hydrolysis
Published 2025“…Adenosine 5′-triphosphate (ATP) hydrolysis is one of the most significant reactions in biochemistry. In chaperone proteins, energy released by hydrolysis enables them to carry out their function and help other proteins (called “clients”) to fold into their functional form. …”
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(a) Surface area and volume change with water level; (b) Topographic changes in the Caspian Sea.
Published 2025Subjects: -
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Predictive Mixing for Density Functional Theory (and Other Fixed-Point Problems)
Published 2021“…Density functional theory calculations use a significant fraction of current supercomputing time. …”
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Predicting Mössbauer Parameters of Nonheme Diiron Complexes with Density Functional Theory
Published 2023“…We also show that δ is accurately predicted irrespective of the choice of approximate density functional while the |Δ<i>E</i><sub>Q</sub>| is sensitive to the level of theory employed. …”
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Predicting Mössbauer Parameters of Nonheme Diiron Complexes with Density Functional Theory
Published 2023“…We also show that δ is accurately predicted irrespective of the choice of approximate density functional while the |Δ<i>E</i><sub>Q</sub>| is sensitive to the level of theory employed. …”
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177
Predicting Mössbauer Parameters of Nonheme Diiron Complexes with Density Functional Theory
Published 2023“…We also show that δ is accurately predicted irrespective of the choice of approximate density functional while the |Δ<i>E</i><sub>Q</sub>| is sensitive to the level of theory employed. …”
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178
Predicting Mössbauer Parameters of Nonheme Diiron Complexes with Density Functional Theory
Published 2023“…We also show that δ is accurately predicted irrespective of the choice of approximate density functional while the |Δ<i>E</i><sub>Q</sub>| is sensitive to the level of theory employed. …”
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179
Predicting Mössbauer Parameters of Nonheme Diiron Complexes with Density Functional Theory
Published 2023“…We also show that δ is accurately predicted irrespective of the choice of approximate density functional while the |Δ<i>E</i><sub>Q</sub>| is sensitive to the level of theory employed. …”
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180
Predicting Mössbauer Parameters of Nonheme Diiron Complexes with Density Functional Theory
Published 2023“…We also show that δ is accurately predicted irrespective of the choice of approximate density functional while the |Δ<i>E</i><sub>Q</sub>| is sensitive to the level of theory employed. …”