Zobrazeno 1 - 10
of 21
pro vyhledávání: '"35"'
Autor:
Carl F. Prutton, William J. Lightfoot
Publikováno v:
Journal of the American Chemical Society. 68
Autor:
George Scatchard, C. L. Raymond
Publikováno v:
Journal of the American Chemical Society. 60:3099-3099
Autor:
Klaus Gawrisch, Ivan V. Polozov, Nadukkudy V. Eldho, Scott E. Feller, Stephanie Tristram-Nagle
Publikováno v:
Journal of the American Chemical Society. 125:6409-6421
Insufficient supply to the developing brain of docosahexaenoic acid (22:6n3, DHA), or its omega-3 fatty acid precursors, results in replacement of DHA with docosapentaenoic acid (22:5n6, DPA), an omega-6 fatty acid that is lacking a double bond near
Publikováno v:
Journal of the American Chemical Society. 141:10821-10829
High fidelity human mitochondrial DNA polymerase (Pol γ) contains two active sites, a DNA polymerization site (pol) and a 3′−5′ exonuclease site (exo) for proofreading. Although separated by 35 Å, coordination between the pol and exo sites is
Publikováno v:
Journal of the American Chemical Society
140 (2018): 17702–17710. doi:10.1021/jacs.8b10499
info:cnr-pdr/source/autori:An, Qi; Shen, Yidi; Fortunelli, Alessandro; Goddard, William A., III/titolo:QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis/doi:10.1021%2Fjacs.8b10499/rivista:Journal of the American Chemical Society (Print)/anno:2018/pagina_da:17702/pagina_a:17710/intervallo_pagine:17702–17710/volume:140
140 (2018): 17702–17710. doi:10.1021/jacs.8b10499
info:cnr-pdr/source/autori:An, Qi; Shen, Yidi; Fortunelli, Alessandro; Goddard, William A., III/titolo:QM-Mechanism-Based Hierarchical High-Throughput in Silico Screening Catalyst Design for Ammonia Synthesis/doi:10.1021%2Fjacs.8b10499/rivista:Journal of the American Chemical Society (Print)/anno:2018/pagina_da:17702/pagina_a:17710/intervallo_pagine:17702–17710/volume:140
We propose and test a hierarchical high-throughput screening (HHTS) approach to catalyst design for complex catalytic reaction systems that is based on quantum mechanics (QM) derived full reaction networks with QM rate constants but simplified to exa
Autor:
Yehuda Zeiri, Barak Hirshberg, Ronnie Kosloff, Naomi Rom, David Furman, William A. Goddard, Faina Dubnikova, Sergey V. Zybin
Publikováno v:
Journal of the American Chemical Society. 136:4192-4200
Activation energy for the decomposition of explosives is a crucial parameter of performance. The dramatic suppression of activation energy in condensed phase decomposition of nitroaromatic explosives has been an unresolved issue for over a decade. We
Autor:
Martin J. Stillman, Thanh T. Ngu
Publikováno v:
Journal of the American Chemical Society. 128:12473-12483
The number of reported cases of chronic arsenic poisoning is on the rise throughout the world, making the study of the long-term effects of arsenic critical. As(3+) binds readily to biological thiols, including mammalian metallothionein (MT), which i
Publikováno v:
Journal of the American Chemical Society. 127:15983-15988
There is a discrepancy between the observed and calculated stability of trans-cycloheptene (t-CHP). Generation of t-CHP has always led to its low-temperature (-40 degrees C) isomerization to cis-cycloheptene (c-CHP). However, force field and semiempi
Publikováno v:
Journal of the American Chemical Society, 125(35), 10570-10579. AMER CHEMICAL SOC
The binding of a series of p-alkylbenzamidinium chloride inhibitors to the serine proteinase trypsin over a range of temperatures has been studied using isothermal titration (micro)calorimetry and molecular dynamics simulation techniques. The inhibit
Publikováno v:
Journal of the American Chemical Society. 124:6449-6460
In the previous paper in this issue we have demonstrated that it is possible to measure the five different relaxation rates of a deuteron in (13)CH(2)D methyl groups of (13)C-labeled, fractionally deuterated proteins. The extensive set of data acquir