Zobrazeno 1 - 10
of 112
pro vyhledávání: '"Lowell H. Hall"'
Autor:
Lowell H. Hall, Shannon Cawley, David F. Grant, Dennis W. Hill, Ming-Hui Chen, Kelly Bugden, L. Mark Hall
Publikováno v:
J Chem Inf Model
The MolFind application has been developed as a nontargeted metabolomics chemometric tool to facilitate structure identification when HPLC biofluids analysis reveals a feature of interest. Here synthetic compounds are selected and measured to form th
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9583f106aac7b950af47f0b521c49611
https://europepmc.org/articles/PMC8404481/
https://europepmc.org/articles/PMC8404481/
Autor:
Dennis W. Hill, David F. Grant, Lowell H. Hall, Ming-Hui Chen, Douglas M. Hawkins, L. Mark Hall
Publikováno v:
Current Computer Aided-Drug Design. 10:374-382
A novel approach is developed for modeling situations in which the modeled property is an algebraically transformed version of the original experimental data. In many cases such a transformation results in a data set with a significantly smaller data
Autor:
Dennis W. Hill, Lochana C. Menikarachchi, David F. Grant, Lowell H. Hall, L. Mark Hall, Ming-Hui Chen
Publikováno v:
Bioanalysis. 7:939-955
Background: Artificial Neural Networks (ANN) are extensively used to model ‘omics’ data. Different modeling methodologies and combinations of adjustable parameters influence model performance and complicate model optimization. Methodology: We eva
Autor:
Lemont B. Kier, Lowell H. Hall
Publikováno v:
Chemistry & Biodiversity. 13:238-240
A series of cellular automata models of amino acid side chains on a neuron soma membrane have been created to simulate their hydropathic influences on adjacent water molecules. The presence of pathways, referred to as water wires, is identified. Thes
Autor:
Lemont B. Kier, Lowell H. Hall
Publikováno v:
Chemistry & Biodiversity. 10:2221-2225
We extend recent modeling studies of proton hopping, used to describe the functioning of membrane channels and axon nerve conduction, to offer an explanation of the initiation of the nerve impulse at an effector-ligand encounter. This encounter is pr
Publikováno v:
Chemistry & Biodiversity. 10:338-342
Proton hopping is the process where a H-atom on a hydronium ion forms a H-bond with the O-atom of a neighboring H(2)O molecule. There is then an exchange of bonding forces when that covalent bond of the H-atom in the hydronium ion changes to a H-bond
Autor:
Ying W. Dong, Tzipporah M. Kertesz, Dennis W. Hill, David S. Wishart, Edward Z. Oblak, David F. Grant, Thomas R. Sharp, L. Mark Hall, Ming-Hui Chen, Lowell H. Hall
Publikováno v:
Journal of Chemical Information and Modeling. 52:1222-1237
The goal of many metabolomic studies is to identify the molecular structure of endogenous molecules that are differentially expressed among sampled or treatment groups. The identified compounds can then be used to gain an understanding of disease mec
Autor:
Lowell H. Hall
Publikováno v:
Current Computer Aided-Drug Design. 8:93-106
This review is a salute to Monty Kier's creativity. Emphasis is placed on creative aspects in the development of the representation of molecular topological structure information and the resultant formalisms: molecular connectivity and electrotopolog
Autor:
Daniel R. Albaugh, David F. Grant, Tzipporah M. Kertesz, Lowell H. Hall, Dennis W. Hill, L. Mark Hall
Publikováno v:
Bioanalysis. 1:1627-1643
MS and HPLC are commonly used for compound characterization and obtaining structural information; in the field of metabonomics, these two analytical techniques are often combined to characterize unknown endogenous or exogenous metabolites present in