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Combining state-of-the-art quantum chemistry and machine learning make gold standard potential energy surfaces accessible for medium-sized molecules
12 December 2023 by
Apurba Nandi
and
Peter Nagy
at
Emory University
Theoretical and Computational Chemistry
,
Theory
Comparison of Machine-Learning and Classical Force Fields in Simulating the Solvation of Small Organic Molecules in Acetonitrile
1 November 2023 by
Sangni Xun
and
Fang Liu
at
Emory University
Theoretical and Computational Chemistry
,
Physical Chemistry
Comparison of Machine-Learning and Classical Force Fields in Simulating the Solvation of Small Organic Molecules in Acetonitrile
31 October 2023 by
Sangni Xun
and
Fang Liu
at
Emory University
Theoretical and Computational Chemistry
,
Physical Chemistry
Photoredox-Driven Three-Component Coupling of Aryl Halides, Olefins, and O2
25 October 2023 by
Mark Maust
and
Simon Blakey
at
Emory University
Organic Chemistry
,
Catalysis
Data-Driven Insights into the Fluorescence of Asphaltene Aggregates Using Extended Frenkel Exciton Model
26 September 2023 by
Fangning Ren
and
Fang Liu
at
Emory University
Theoretical and Computational Chemistry
Enantioselective Aziridination of Unactivated Terminal Alkenes Using a Planar Chiral Rh(III) Indenyl Catalyst
26 September 2023 by
Patrick Gross
and
others
at
Emory University
Organic Chemistry
,
Catalysis
Data-Driven Insights into the Fluorescence of Asphaltene Aggregates Using Extended Frenkel Exciton Model
11 September 2023 by
Fangning Ren
and
Fang Liu
at
Emory University
Theoretical and Computational Chemistry
TGA-FTIR Guided Ligand Evaluation for Iron Photocatalyzed Decarboxylative Giese Reactions
4 September 2023 by
Laura K.G. Ackerman-Biegasiewicz
and
others
at
Emory University
Organic Chemistry
,
Catalysis
Structural Characterization and Ligand-Induced Conformational Changes of SenB, a Se-Glycosyltransferase Involved in Selenoneine Biosynthesis
29 August 2023 by
Kendra Ireland
and
others
at
Emory University
Biological and Medicinal Chemistry
,
Biochemistry
Fusogenic Structural Changes in Arenavirus Glycoproteins are Associated with Viroporin Activity
26 July 2023 by
Yan Bing Zhang
and
others
at
Emory University
Microbiology
Exposome Epidemiology for Suspect Environmental Chemical Exposures during Pregnancy Linked to Subsequent Breast Cancer Diagnosis
24 July 2023 by
Young-Min Go
and
others
at
Emory University
Occupational and Environmental Health
Neuromelanin-sensitive MRI correlates of cognitive and motor function in Parkinson disease with freezing of gait
11 August 2023 by
D. Huddleston
and
others
at
Emory University
Neurology
Multicomponent regulation of actin barbed end assembly by twinfilin, formin and capping protein
6 July 2023 by
H. Ulrichs
and
others
at
Emory University
Biophysics
Specifications Grading at Scale: Improved Letter Grades and Grading-Related Interactions in a Course with over 1,000 Students
5 July 2023 by
Kate Mcknelly
and
others
at
Emory University
Chemical Education
A mesocorticolimbic signature of pleasure in the human brain
29 June 2023 by
P. Kragel
and
others
at
Emory University
Neuroscience
Factors Associated with Stroke after COVID-19 Vaccination: A Statewide Analysis
28 June 2023 by
Fadi Nahab
and
others
at
Emory University
Public and Global Health
Improving irregular temporal modeling by integrating synthetic data to the electronic medical record using conditional GANs: a case study of fluid overload prediction in the intensive care unit
22 November 2023 by
Amin Rafiei
and
others
at
Emory University
Health Informatics
Rare variants found in multiplex families with orofacial clefts: Does expanding the phenotype make a difference?
24 June 2023 by
K. Diaz Perez
and
others
at
Emory University
Genetic and Genomic Medicine
Rare variants found in clinical gene panels illuminate the genetic and allelic architecture of orofacial clefting
15 June 2023 by
K. Diaz Perez
and
others
at
Emory University
Genetic and Genomic Medicine
Genetic background influences the 5XFAD Alzheimer's disease mouse model brain proteome
12 October 2023 by
C. Hurst
and
others
at
Emory University
Neuroscience
Immunogenicity of a Two Dose Regimen of Moderna mRNA Beta/Omicron BA.1 Bivalent Variant Vaccine Boost in a Randomized Clinical Trial
9 August 2023 by
N. Rouphael
and
others
at
Emory University
Infectious Diseases
Modeling synaptic integration of bursty and beta oscillatory inputs in ventromedial motor thalamic neurons in normal and parkinsonian states
21 November 2023 by
F. Cavarretta
and
Dirk Jaeger
at
Emory University
Neuroscience
Systemic Metabolic and Mitochondrial Defects in Rett Syndrome Models
15 September 2023 by
S. Zlatic
and
others
at
Emory University
Neuroscience
Self-reported xylazine experiences: A Mixed Methods Study of Reddit Subscribers
10 August 2023 by
Alice Spadaro
and
others
at
Emory University
Addiction Medicine
FARL-11 (STRIP1/2) is Required for Sarcomere and Sarcoplasmic Reticulum Organization in C. elegans
14 June 2023 by
S. C. T. Martin
and
others
at
Emory University
Cell Biology
Trio-based GWAS identifies novel associations and subtype-specific risk factors for cleft palate
25 August 2023 by
Kristin Robinson
and
others
at
Emory University
Genetic and Genomic Medicine
Changing social contact patterns among US workers during the COVID-19 pandemic: April 2020 to December 2021
7 November 2023 by
M. Kiti
and
others
at
Emory University
Infectious Diseases
Parasite transmission in size-structured populations
30 November 2023 by
Keo Shaw
and
others
at
Emory University
Ecology
The host-directed therapeutic imatinib mesylate accelerates immune responses to Mycobacterium marinum infection and limits pathology associated with granulomas
18 May 2023 by
T. Cleverley
and
others
at
Emory University
Immunology
Spinal cord and brain concentrations of riluzole after oral and intrathecal administration: a potential new treatment route for amyotrophic lateral sclerosis
22 August 2023 by
O. Keifer
and
others
at
Emory University
Neuroscience
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