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Chemically active substitutional nitrogen impurity in carbon nanotubes

Physical review letters, 2003-09, Vol.91 (10), p.105502-105502, Article 105502

2003

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Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory

ACS omega, 2023-11, Vol.8 (47), p.44537-44544

2023

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Development and Validation of the Quantum Mechanical Bespoke Protein Force Field

ACS omega, 2019-09, Vol.4 (11), p.14537-14550

2019

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Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection

Journal of chemical theory and computation, 2018-01, Vol.14 (1), p.274-281

2018

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PrP Conformational Transitions Alter Species Preference of a PrP-specific Antibody

The Journal of biological chemistry, 2010-04, Vol.285 (18), p.13874-13884

2010

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Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field

Journal of chemical theory and computation, 2021-08, Vol.17 (8), p.5021-5033

2021

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New Insights into the Origin of Visible Light Photocatalytic Activity of Nitrogen-Doped and Oxygen-Deficient Anatase TiO2

The journal of physical chemistry. B, 2005-11, Vol.109 (44), p.20948-20952

2005

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Use of calcitonin in recalcitrant phantom limb pain complicated by heterotopic ossification

Pain research & management, 2015-09, Vol.20 (5), p.229-233

2015

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Modeling Pair Distribution Functions of Rare-Earth Phosphate Glasses Using Principal Component Analysis

Inorganic chemistry, 2016-11, Vol.55 (21), p.10870-10880

2016

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Role of spin in the calculation of Hubbard U and Hund's J parameters from first principles

Physical review. B, 2018-12, Vol.98 (23), p.1, Article 235157

2018

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GABA receptor associated protein changes the electrostatic environment around the GABA type A receptor

Proteins, structure, function, and bioinformatics, 2022-02, Vol.90 (2), p.476-484

2022

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Relationship between body image and physical functioning following rehabilitation for lower-limb amputation

International journal of rehabilitation research, 2019-03, Vol.42 (1), p.85-88

2019

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ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory

Journal of chemical theory and computation, 2020-08, Vol.16 (8), p.4899-4911

2020

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Large-Scale Study of Hydration Environments through Hydration Sites

The journal of physical chemistry. B, 2019-05, Vol.123 (19), p.4220-4229

2019

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Sa1087 H. pylori Frequency in a Case Series of 119 Patients With Parasitic Diseases

Gastroenterology (New York, N.Y. 1943), 2014-05, Vol.146 (5), p.S-196-S-196

2014

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Does water dope carbon nanotubes?

The Journal of chemical physics, 2014-10, Vol.141 (16), p.164703-164703

2014

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Improving the conductance of carbon nanotube networks through resonant momentum exchange

Physical review. B, Condensed matter and materials physics, 2014-06, Vol.89 (24), Article 245426

2014

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Peer assessment in the objective structured clinical examination: A scoping review

Medical teacher, 2017-07, Vol.39 (7), p.745-756

2017

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Dynamic changes in expression of myosin phosphatase in a model of portal hypertension

American journal of physiology. Heart and circulatory physiology, 2004-05, Vol.286 (5), p.H1801-H1810

2004

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Determining pressure-temperature phase diagrams of materials

Physical review. B, 2016-05, Vol.93 (17), Article 174108

2016

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Pregnancy After Amputation: A Systematic Review of Pregnancy Experiences for Women With Lower Extremity Amputations

American journal of physical medicine & rehabilitation, 2022-11, Vol.101 (11), p.1066-1075

2022

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Spin Filtering and Magneto-Resistive Effect at the Graphene/h‑BN Ribbon Interface

ACS nano, 2013-05, Vol.7 (5), p.4578-4585

2013

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Evidence of Correlated Static Disorder in the Fenna–Matthews–Olson Complex

The journal of physical chemistry letters, 2017-05, Vol.8 (10), p.2350-2356

2017

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In vitro biomechanical evaluation of fibular movement in below knee amputations

Clinical biomechanics (Bristol), 2014-05, Vol.29 (5), p.551-555

2014

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Electronic transport calculations in the onetep code: Implementation and applications

Computer physics communications, 2015-08, Vol.193, p.78-88

2015

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Chemically active substitutional nitrogen impurity in carbon nanotubes

Efficiently Differentiating Agonists and Competitive Antagonists for Weak Allosteric Protein–Ligand Interactions with Linear Response Theory

Development and Validation of the Quantum Mechanical Bespoke Protein Force Field

Harmonic Force Constants for Molecular Mechanics Force Fields via Hessian Matrix Projection

PrP Conformational Transitions Alter Species Preference of a PrP-specific Antibody

Modeling Molecular Emitters in Organic Light-Emitting Diodes with the Quantum Mechanical Bespoke Force Field

New Insights into the Origin of Visible Light Photocatalytic Activity of Nitrogen-Doped and Oxygen-Deficient Anatase TiO2

Use of calcitonin in recalcitrant phantom limb pain complicated by heterotopic ossification

Modeling Pair Distribution Functions of Rare-Earth Phosphate Glasses Using Principal Component Analysis

Role of spin in the calculation of Hubbard U and Hund's J parameters from first principles

GABA receptor associated protein changes the electrostatic environment around the GABA type A receptor

Relationship between body image and physical functioning following rehabilitation for lower-limb amputation

ONETEP + TOSCAM: Uniting Dynamical Mean Field Theory and Linear-Scaling Density Functional Theory

Large-Scale Study of Hydration Environments through Hydration Sites

Sa1087 H. pylori Frequency in a Case Series of 119 Patients With Parasitic Diseases

Does water dope carbon nanotubes?

Improving the conductance of carbon nanotube networks through resonant momentum exchange

Peer assessment in the objective structured clinical examination: A scoping review

Dynamic changes in expression of myosin phosphatase in a model of portal hypertension

Determining pressure-temperature phase diagrams of materials

Pregnancy After Amputation: A Systematic Review of Pregnancy Experiences for Women With Lower Extremity Amputations

Spin Filtering and Magneto-Resistive Effect at the Graphene/h‑BN Ribbon Interface

Evidence of Correlated Static Disorder in the Fenna–Matthews–Olson Complex

In vitro biomechanical evaluation of fibular movement in below knee amputations

Electronic transport calculations in the onetep code: Implementation and applications

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