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2
Computation of Large Molecules with the Hartree-Fock Model
Por Clementi, Enrico
Publicado em 1972
“... in the Hartree-Fock energy (correlation energy error) can be easily computed by use of a statistical model...”
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5
Folding a protein in a computer: An atomic description of the folding/unfolding of protein A
Por García, Angel E., Onuchic, José N.
Publicado em 2003
“... is now possible. The kinetic bottlenecks for folding can be determined from the thermal ensembles...”
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A new decision sciences for complex systems
Por Lempert, Robert J.
Publicado em 2002
“... ensembles of computational experiments, now make possible systematic comparison of alternative policy...”
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9
Protein folding kinetics and thermodynamics from atomistic simulation
“..., but following a slightly different pathway. This work showcases how computer simulation has now developed into a...”
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10
Receptors for glucocorticosteroid and progesterone recognize distinct features of a DNA regulatory element.
“...The chicken lysozyme gene can be induced in oviduct cells by four classes of steroid hormones...”
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11
Origin of the emergent fragile-to-strong transition in supercooled water
“...]. Such a transition is particularly well known for water, and it is now regarded as one of water’s most...”
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12
An automated multiplex oligonucleotide synthesizer: development of high-throughput, low-cost DNA synthesis.
“... instrument is automated via computer control. Synthesis cycle times for 96 couplings are < 11 min, allowing a...”
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13
Ensemble versus single-molecule protein unfolding
Por Day, Ryan, Daggett, Valerie
Publicado em 2005
“... the ensemble behavior of large numbers of molecules. Given the increase in computer power, we now address...”
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14
Distance-based protein folding powered by deep learning
Por Xu, Jinbo
Publicado no Proc Natl Acad Sci U S A (2019)
“... sampling with fragments. We show that we can accurately predict interresidue distance distribution of a...”
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16
Blind tests of RNA nearest-neighbor energy prediction
“..., these results establish that computational methods can now blindly predict energetics of basic RNA motifs...”
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19
What is a moment? Transient synchrony as a collective mechanism for spatiotemporal integration
Por Hopfield, J. J., Brody, Carlos D.
Publicado em 2001
“... point to a general class of computational operations that can be carried out easily and naturally...”
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Precision proteomics: The case for high resolution and high mass accuracy
Por Mann, Matthias, Kelleher, Neil L.
Publicado em 2008
“.... Recent advances in computational proteomics are removing the data analysis bottleneck. Thus, in a few...”
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