Articles by University of Pittsburgh

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University of Pittsburgh

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628

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Computational Insights into Water Oxidation Mechanisms on Rutile SnO2(110) that Form Ozone

26 December 2023 by Lingyan Zhao and others at

University of Pittsburgh

Theoretical and Computational Chemistry, Catalysis

Computing Two-Stage Robust Optimization with Mixed Integer Structures

21 December 2023 by Wei Wang and Bo Zeng at

University of Pittsburgh

Optimization and Control

Revisiting the classic azide-clock reaction: Direct simulation of pathways reveals a rate-limiting activation step

11 December 2023 by Anthony Bogetti and others

Theoretical and Computational Chemistry

Unsupported Pt nanoparticles: Synthesis, Deactivation, and Hydrogen Electrocatalysis in Unpurified Electrolytes

22 November 2023 by Rituja Patil and others at

University of Pittsburgh

Catalysis, Nanoscience

Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences

8 November 2023 by Dakota Folmsbee and others

Theoretical and Computational Chemistry, Physical Chemistry

Toward Predicting Solubility of Arbitrary Solutes in Arbitrary Solvents. 1: Prediction of Density and Refractive Index Using Machine Learning Algorithms with correlation-group parallel feature analysis

1 November 2023 by Brian Hu and others at

University of Pittsburgh

Theoretical and Computational Chemistry, Machine Learning

Direct C3-functionalization of indoles with alpha-heteroaryl-substituted methyl alcohols via a metal-free hydrogen autotransfer-type reaction

18 October 2023 by Ethan Pazur and others

Biological and Medicinal Chemistry, Organic Chemistry

Two-Step Active Learning for Instance Segmentation with Uncertainty and Diversity Sampling

28 September 2023 by Ke Yu and others at

University of Pittsburgh

Computer Vision and Pattern Recognition, Machine Learning

Open-ComBind: Harnessing unlabeled data for improved binding pose prediction

6 September 2023 by Andrew Mcnutt and David Koes

Theoretical and Computational Chemistry, Biological and Medicinal Chemistry

Making Sunscreen with Household Chemicals - A Frugal Demonstration of the Aldol Clock Reaction

22 August 2023 by Jacob Wolfe and others

Biological and Medicinal Chemistry, Organic Chemistry

Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences

14 August 2023 by Dakota Folmsbee and others

Theoretical and Computational Chemistry, Physical Chemistry

Tutorial: Determining Best Practices for Using Genetic Algorithms in Molecular Discovery

9 August 2023 by Brianna Greenstein and others

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

Conformer Generation for Structure Based Drug Design: How Many and How Good?

7 August 2023 by Andrew Mcnutt and others

Theoretical and Computational Chemistry, Computational Chemistry and Modeling

A Novel Homeostatic Mechanism Tunes PI(4,5)P2-dependent Signaling at the Plasma Membrane

3 August 2023 by R. Wills and others

Cell Biology

Aberrant accumulation of age- and disease-associated factors following neural probe implantation in a mouse model of Alzheimers disease

2 August 2023 by S. Wellman and others

Neuroscience

Gestational and postnatal age associations for striatal tissue iron deposition in early infancy

25 July 2023 by L. Cabral and others

Neuroscience

Acute alcohol and chronic drinking bidirectionally regulate the excitability of prefrontal cortex vasoactive intestinal peptide interneurons

22 July 2023 by S. Thompson and others

Neuroscience

ComBat Harmonization: Empirical Bayes versus Fully Bayes Approaches

13 July 2023 by Margaret Reynolds and others

Neuroscience

Direct C3-functionalization of indoles with alpha-heteroaryl-substituted methyl alcohols via a metal-free hydrogen autotransfer-type reaction

5 July 2023 by Ethan Pazur and others

Biological and Medicinal Chemistry, Organic Chemistry

Cue- versus reward-encoding basolateral amygdala projections to nucleus accumbens

14 November 2023 by Yurou He and others

Neuroscience

Seroprevalence of Dengue, Chikungunya and Zika at the epicenter of the congenital microcephaly epidemic in Northeast Brazil: a population-based survey

3 July 2023 by Cristiano Braga and others

Public and Global Health

Conditional control of universal CAR T cells by cleavable OFF-switch adaptors.

4 October 2023 by M. Kvorjak and others

Synthetic Biology

Genome mining yields new disease-associated ROMK variants with distinct defects

13 November 2023 by Nam Hoai Nguyen and others

Genetics

Childhood Adversity and COVID-19 Outcomes: Findings from the UK Biobank

1 November 2023 by J. Hanson and others

Epidemiology

SODA: Million-scale Dialogue Distillation with Social Commonsense Contextualization

23 October 2023 by Hyunwoo Kim and others at

University of Pittsburgh

Computation and Language

Neural activity is spatially clustered in motor and dorsal premotor cortex

19 October 2023 by N. Chehade and O. Gharbawie

Neuroscience

Hybridization led to a rewired pluripotency network in the allotetraploid Xenopus laevis

3 October 2023 by W. Phelps and others

Developmental Biology

A twin UGUA motif directs the balance between gene isoforms through CFIm and the mTORC1 signaling pathway.

4 September 2023 by R. Herron and others

Molecular Biology

A gut commensal protist protects against virus-mediated loss of oral tolerance

20 July 2023 by M. Siller and others

Immunology

Low-skilled Occupations Face the Highest Upskilling Pressure

7 December 2023 by D. Tong and others at

University of Pittsburgh

Computers and Society, Machine Learning

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Neuroscience High Energy Physics Microbiology Computational Chemistry and Modeling Machine Learning Theoretical and Computational Chemistry Bioinformatics Cosmology and Nongalactic Astrophysics Cell Biology Bioengineering Immunology Chemoinformatics Cancer Biology Theory Physiology