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SciNet: Lessons Learned from Building a Power-efficient Top-20 System and Data Centre

Journal of physics. Conference series, 2010-11, Vol.256 (1), p.012026

2010

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Functional Hydration and Conformational Gating of Proton Uptake in Cytochrome c Oxidase

Journal of molecular biology, 2009-04, Vol.387 (5), p.1165-1185

2009

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Systematic Study of Anharmonic Features in a Principal Component Analysis of Gramicidin A

Biophysical journal, 2010-02, Vol.98 (3), p.386-395

2010

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Electrostatic control of proton pumping in cytochrome c oxidase

Biochimica et biophysica acta, 2008-03, Vol.1777 (3), p.277-284

2008

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Catalytically enhanced endocellulase Cel5A from Acidothermus cellulolyticus

Applied biochemistry and biotechnology, 2005, Vol.121-124 (1-3), p.129-148

2005

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Theoretical Study of the Structure and Dynamic Fluctuations of Dioxolane-Linked Gramicidin Channels

Biophysical journal, 2003-02, Vol.84 (2), p.816-831

2003

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Molecular dynamics simulations of sorption of organic compounds at the clay mineral/aqueous solution interface

Journal of computational chemistry, 1998-01, Vol.19 (2), p.144-153

1998

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Deploying a Top-100 Supercomputer for Large Parallel Workloads: the Niagara Supercomputer

Practice and Experience in Advanced Research Computing 2019: Rise of the Machines (learning), 2019, p.1-8

2019

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A Combined NMR and Molecular Dynamics Study of the Transmembrane Solubility and Diffusion Rate Profile of Dioxygen in Lipid Bilayers

Biochemistry (Easton), 2006-09, Vol.45 (35), p.10719-10728

2006

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Ab Initio Geometry Determinations of Proteins. 1. Crambin

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-03, Vol.102 (12), p.2246-2251

1998

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Molecular dynamics simulations of the adsorption of methylene blue at clay mineral surfaces

Clays and clay minerals, 2000-12, Vol.48 (6), p.665-681

2000

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Ab initio conformational analysis of N -formyl l -alanine amide including electron correlation

Journal of molecular structure, 2001-06, Vol.567-568, p.361-374

2001

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Quantum Molecular Dynamics Simulations Regarding the Dechlorination of Trichloro Ethene in the Interlayer Space of the 2:1 Clay Mineral Nontronite

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-06, Vol.106 (22), p.5498-5503

2002

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Functional Dynamics of Ion Channels: Modulation of Proton Movement by Conformational Switches

Journal of the American Chemical Society, 2003-11, Vol.125 (45), p.13890-13894

2003

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Local Geometry Trends and Torsional Sensitivity in N-Formyl-l-alanyl-l-alanine Amide and the Limitations of the Dipeptide Approximation

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-10, Vol.103 (41), p.8337-8345

1999

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Ab Initio Study of the Conformational Dependence of the Nonplanarity of the Peptide Group

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2000-10, Vol.104 (42), p.9636-9645

2000

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Ab initio investigations pertaining to aluminum in tetrahedral versus octahedral sites of clay minerals

Journal of molecular structure, 1998-04, Vol.445 (1), p.65-88

1998

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Relay and blockage of protons in water chains

Frontiers in bioscience, 2003-09, Vol.8, p.d1288

2003

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Studies of molecular conformational geometry trends and torsional sensitivity

Yu, Ching-Hsing

1999

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ProQuest

Personality and individual attitudes toward vaccination: a nationally representative survey in the United States

BMC public health, 2020-11, Vol.20 (1), p.1759-1759, Article 1759

2020

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ø/ψ-Torsional dependence of peptide backbone bond-lengths and bond-angles: comparison of crystallographic and calculated parameters

Journal of molecular structure, 1997, Vol.403 (1), p.83-93

1997

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Identification of exacerbation risk in patients with liver dysfunction using machine learning algorithms

PloS one, 2020-10, Vol.15 (10), p.e0239266-e0239266

2020

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Politics matters for individual attitudes toward vaccine donation: cross-national evidence from the United States and Taiwan

Globalization and health, 2023-06, Vol.19 (1), p.40-40, Article 40

2023

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Temporal and Spatial Properties of Arterial Pulsation Measurement Using Pressure Sensor Array

Evidence-based complementary and alternative medicine, 2012-01, Vol.2012, p.745127-9

2012

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Trends in Palliative Care Research During the COVID-19 Pandemic

American journal of hospice & palliative medicine, 2023-11, Vol.40 (11), p.1271-1278

2023

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SciNet: Lessons Learned from Building a Power-efficient Top-20 System and Data Centre

Functional Hydration and Conformational Gating of Proton Uptake in Cytochrome c Oxidase

Systematic Study of Anharmonic Features in a Principal Component Analysis of Gramicidin A

Electrostatic control of proton pumping in cytochrome c oxidase

Catalytically enhanced endocellulase Cel5A from Acidothermus cellulolyticus

Theoretical Study of the Structure and Dynamic Fluctuations of Dioxolane-Linked Gramicidin Channels

Molecular dynamics simulations of sorption of organic compounds at the clay mineral/aqueous solution interface

Deploying a Top-100 Supercomputer for Large Parallel Workloads: the Niagara Supercomputer

A Combined NMR and Molecular Dynamics Study of the Transmembrane Solubility and Diffusion Rate Profile of Dioxygen in Lipid Bilayers

Ab Initio Geometry Determinations of Proteins. 1. Crambin

Molecular dynamics simulations of the adsorption of methylene blue at clay mineral surfaces

Ab initio conformational analysis of N -formyl l -alanine amide including electron correlation

Quantum Molecular Dynamics Simulations Regarding the Dechlorination of Trichloro Ethene in the Interlayer Space of the 2:1 Clay Mineral Nontronite

Functional Dynamics of Ion Channels: Modulation of Proton Movement by Conformational Switches

Local Geometry Trends and Torsional Sensitivity in N-Formyl-l-alanyl-l-alanine Amide and the Limitations of the Dipeptide Approximation

Ab Initio Study of the Conformational Dependence of the Nonplanarity of the Peptide Group

Ab initio investigations pertaining to aluminum in tetrahedral versus octahedral sites of clay minerals

Relay and blockage of protons in water chains

Studies of molecular conformational geometry trends and torsional sensitivity

Personality and individual attitudes toward vaccination: a nationally representative survey in the United States

ø/ψ-Torsional dependence of peptide backbone bond-lengths and bond-angles: comparison of crystallographic and calculated parameters

Identification of exacerbation risk in patients with liver dysfunction using machine learning algorithms

Politics matters for individual attitudes toward vaccine donation: cross-national evidence from the United States and Taiwan

Temporal and Spatial Properties of Arterial Pulsation Measurement Using Pressure Sensor Array

Trends in Palliative Care Research During the COVID-19 Pandemic

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