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Sampling thermodynamic ensembles of molecular systems with generative neural networks: Will integrating physics-based models close the generalization gap?

Current opinion in solid state & materials science, 2024-06, Vol.30, Article 101158

Rotskoff, Grant M.

2024

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Bias-free estimation of signals on top of unknown backgrounds

Nuclear instruments & methods in physics research. Section A, Accelerators, spectrometers, detectors and associated equipment, 2024-06, Vol.1063, Article 169259

2024

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Increased percentage of HLA-DR T cells in untreated juvenile dermatomyositis

Clinical immunology communications, 2024-06, Vol.5, p.20-25

2024

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Dual pH and ultrasound responsive nanocarriers: A smart approach in cancer theranostics

Journal of drug delivery science and technology, 2024-05, Vol.95, Article 105560

2024

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Characterization of a novel T cell-engaging bispecific antibody for elimination of L1CAM-positive tumors

Biomedicine & pharmacotherapy, 2024-05, Vol.174, p.116565, Article 116565

2024

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A New Age for Secondary Prevention: Optimal Medical Therapy for Stable Ischemic Heart Disease Among Patients with Diabetes and/or Obesity

The Medical clinics of North America, 2024-05, Vol.108 (3), p.469

2024

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Machine learning for CO2 capture and conversion: A review

Energy and AI, 2024-05, Vol.16, Article 100361

2024

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Structural, spectroscopi c and laser properties of transparent Tm:YScO3 ceramic based on gas-phase synthesized nanoparticles

Optical materials, 2024-05, Vol.151, Article 115309

2024

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Determination of the drag, lift and added mass coefficients of special unexploded ordnance (UXO) as a function of the Reynolds number and the burial depth

Applied ocean research, 2024-05, Vol.146, Article 103946

2024

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Topotactic transformation of gadolinite‐ to melilite‐type structure revisited

Journal of the American Ceramic Society, 2024-05, Vol.107 (5), p.3534-3549

2024

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Intraoperative assessment of cochlear nerve functionality in various vestibular schwannoma scenarios: Lessons learned

Hearing research, 2024-05, Vol.446, p.108997-108997, Article 108997

2024

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Machine learning accelerates the screening of single-atom catalysts towards CO2 electroreduction

Applied catalysis. A, General, 2024-04, Vol.676, Article 119674

2024

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The role of orphan G protein-coupled receptors in pain

Heliyon, 2024-04, Vol.10 (7), p.e28818-e28818, Article e28818

2024

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Influence of prescribed fire intensity and grass mulch on soil erosion and runoff under rainfed maize in Nigeria

Catena (Giessen), 2024-04, Vol.238, Article 107905

2024

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Many-body interactions and deep neural network potentials for water

The Journal of chemical physics, 2024-04, Vol.160 (14)

2024

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Cardiovascular risk reduction in older people with type 2 diabetes mellitus-a comprehensive narrative review

Diabetes research and clinical practice, 2024-04, Vol.211, p.111662-111662, Article 111662

2024

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Expression of Toll-like receptors in oral squamous cell carcinoma

PloS one, 2024-04, Vol.19 (4), p.e0300437-e0300437

2024

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Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition

Journal of cheminformatics, 2024-04, Vol.16 (1), p.39-39

2024

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An Exploration of Substituent Effects on the Photophysical Properties of Monobenzopentalenes

Chemphyschem, 2024-04, Vol.25 (7), p.e202300737-n/a

2024

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Flash Joule‐heating synthesis of MoO2 nanocatalysts in graphene aerogel for deep catalytic oxidative desulfurization

AIChE journal, 2024-04, Vol.70 (4), p.n/a

2024

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Retinal Pigment Epithelium Pigment Granules: Norms, Age Relations and Pathology

International journal of molecular sciences, 2024-04, Vol.25 (7), p.3609

2024

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“What’s She Doing Here?!”: Negotiating Gender Identity and Harassment in Gendered, Sexualized, and “Taboo” Research Spaces

Feminist criminology, 2024-04, Vol.19 (2), p.83-106

2024

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Radiofrequency catheter ablation of cardiac arrhythmias: Don’t get burned

HeartRhythm case reports, 2024-04, Vol.10 (4), p.248-249

2024

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Metabolic effects of SGLT2i and metformin on 3-hydroxybutyric acid and lactate in db/db mice

International journal of biological macromolecules, 2024-04, Vol.265 (Pt 1), p.130962-130962, Article 130962

2024

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A constrained Bayesian Optimization framework for structural vibrations with local nonlinearities

Structural and multidisciplinary optimization, 2024-04, Vol.67 (4), p.47

2024

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Sampling thermodynamic ensembles of molecular systems with generative neural networks: Will integrating physics-based models close the generalization gap?

Bias-free estimation of signals on top of unknown backgrounds

Increased percentage of HLA-DR T cells in untreated juvenile dermatomyositis

Dual pH and ultrasound responsive nanocarriers: A smart approach in cancer theranostics

Characterization of a novel T cell-engaging bispecific antibody for elimination of L1CAM-positive tumors

A New Age for Secondary Prevention: Optimal Medical Therapy for Stable Ischemic Heart Disease Among Patients with Diabetes and/or Obesity

Machine learning for CO2 capture and conversion: A review

Structural, spectroscopi c and laser properties of transparent Tm:YScO3 ceramic based on gas-phase synthesized nanoparticles

Determination of the drag, lift and added mass coefficients of special unexploded ordnance (UXO) as a function of the Reynolds number and the burial depth

Topotactic transformation of gadolinite‐ to melilite‐type structure revisited

Intraoperative assessment of cochlear nerve functionality in various vestibular schwannoma scenarios: Lessons learned

Machine learning accelerates the screening of single-atom catalysts towards CO2 electroreduction

The role of orphan G protein-coupled receptors in pain

Influence of prescribed fire intensity and grass mulch on soil erosion and runoff under rainfed maize in Nigeria

Many-body interactions and deep neural network potentials for water

Cardiovascular risk reduction in older people with type 2 diabetes mellitus-a comprehensive narrative review

Expression of Toll-like receptors in oral squamous cell carcinoma

Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition

An Exploration of Substituent Effects on the Photophysical Properties of Monobenzopentalenes

Flash Joule‐heating synthesis of MoO2 nanocatalysts in graphene aerogel for deep catalytic oxidative desulfurization

Retinal Pigment Epithelium Pigment Granules: Norms, Age Relations and Pathology

“What’s She Doing Here?!”: Negotiating Gender Identity and Harassment in Gendered, Sexualized, and “Taboo” Research Spaces

Radiofrequency catheter ablation of cardiac arrhythmias: Don’t get burned

Metabolic effects of SGLT2i and metformin on 3-hydroxybutyric acid and lactate in db/db mice

A constrained Bayesian Optimization framework for structural vibrations with local nonlinearities

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