Search Results - "Morrell, Thomas E."
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Accurate Predictions of Water Cluster Formation, (H2O) n=2−10
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04-11-2010)“…An efficient mixed molecular dynamics/quantum mechanics model has been applied to the water cluster system. The use of the MP2 method and correlation…”
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Extraction of Protein Conformational Modes from Distance Distributions Using Structurally Imputed Bayesian Data Augmentation
Published in The journal of physical chemistry. B (13-10-2016)“…Protein conformational changes are known to play important roles in assorted biochemical and biological processes. Driven by thermal motions of surrounding…”
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FRET monitoring of a nonribosomal peptide synthetase
Published in Nature chemical biology (01-09-2017)“…FRET sensors based on the adenylation and peptidyl carrier protein domains of a nonribosomal peptide synthetase illuminate the relationships between…”
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The Materials Provenance Store
Published in Scientific data (06-04-2023)“…We present a database resulting from high throughput experimentation, primarily on metal oxide solid state materials. The central relational database, the…”
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Accurate predictions of water cluster formation, (H₂O)(n=2-10)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (04-11-2010)“…An efficient mixed molecular dynamics/quantum mechanics model has been applied to the water cluster system. The use of the MP2 method and correlation…”
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Subdomain dynamics enable chemical chain reactions in non-ribosomal peptide synthetases
Published in Nature chemistry (01-02-2024)“…Many peptide-derived natural products are produced by non-ribosomal peptide synthetases (NRPSs) in an assembly-line fashion. Each amino acid is coupled to a…”
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Compound Molecular Logic in Accessing the Active Site of Mycobacterium tuberculosis Protein Tyrosine Phosphatase B
Published in Journal of the American Chemical Society (07-11-2018)“…Protein tyrosine phosphatase B (PtpB) from Mycobacterium tuberculosis (Mtb) extends the bacteria’s survival in hosts and hence is a potential target for…”
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Quantum Mechanical Study of Sulfuric Acid Hydration: Atmospheric Implications
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (08-03-2012)“…The role of the binary nucleation of sulfuric acid in aerosol formation and its implications for global warming is one of the fundamental unsettled questions…”
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Atmospheric Implications for Formation of Clusters of Ammonium and 1−10 Water Molecules
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01-04-2010)“…A mixed molecular dynamics/quantum mechanics model has been applied to the ammonium/water clustering system. The use of the high level MP2 calculation method…”
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Simple Syntheses of CdSe Quantum Dots
Published in Journal of chemical education (11-02-2014)“…Quantum dots are an excellent resource for demonstrating quantum phenomena. Two new methods for synthesizing quantum dots are presented. Proceeding at…”
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Predictive Occurrence Models for Bat Species in California
Published in The Journal of wildlife management (01-05-2007)“…The ability to accurately predict the potential occurrence of species of management concern is useful for wildlife managers, particularly for those whose…”
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Characteristics of ponderosa pine snag roosts used by reproductive bats in northern Arizona
Published in The Journal of wildlife management (01-04-1998)“…Little information exists on the roost habitat characteristics of reproductive forest bats; hence, we used radiotelemetry to locate 121 roosts of 8 species of…”
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Sub-Domain Dynamics Enable Chemical Chain Reactions in Nonribosomal Peptide Synthetases
Published in Nature chemistry (04-12-2023)“…Many peptide-derived natural products are produced by nonribosomal peptide synthetases (NRPS) in an assembly-line fashion. Each amino-acid is coupled to a…”
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14
The Materials Provenance Store
Published in Scientific data (06-04-2023)“…Abstract We present a database resulting from high throughput experimentation, primarily on metal oxide solid state materials. The central relational database,…”
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Diurnal Bed-Site Selection of Urban-Dwelling Javelina in Prescott, Arizona
Published in The Journal of wildlife management (01-01-2001)“…Javelina (Tayassu tajacu) are an economically important big game species in the southwestern United States, but are considered nuisance wildlife in urban…”
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NEST-SITE CHARACTERISTICS OF RED-TAILED TROPICBIRDS ON ROSE ATOLL, AMERICAN SAMOA
Published in Journal of field ornithology (01-07-2000)“…We examined nest sites of Red-tailed Tropicbirds (Phaethon rubricauda) on Rose Island of the Rose Atoll National Wildlife Refuge, American Samoa, to determine…”
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Effects of Prescribed Surface Fires On Ground- and Shrub-Nesting Neotropical Migratory Birds in a Mature Indiana Oak Forest, USA
Published in Natural areas journal (01-10-2000)“…Prescribed fires have been used as a forest vegetation management tool in the eastern United States during the past decade, but concerns have been raised about…”
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Atmospheric Implications for Formation of Clusters of Ammonium and One to Ten Water Molecules
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (01-04-2010)“…A mixed molecular dynamics/quantum mechanics model has been applied to the ammonium water clustering system. The use of the high level MP2 calculation method…”
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Temporal Variation in Fruit Bats Observed during Daytime Surveys in American Samoa
Published in Wildlife Society bulletin (01-04-1995)“…We conducted daytime surveys of Samoan and Tongan fruit bats (Pteropus samoensis and P. tonganus) to examine temporal patterns of fruit bat detections on…”
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