delphi program (Gilson Inc)

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Gilson Inc delphi program
Delphi Program, supplied by Gilson Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/delphi+program/program+delphi/pmc06624376-90-8-10
Average 90 stars, based on 1 article reviews

delphi program - by Bioz Stars, 2026-10

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Article Title: Comparative Analysis of Electrostatic Models for Ligand Docking
Article Snippet: In late '80s Honig et al. developed the DelPhi program (Gilson et al., ), that numerically solves the PB equation for macromolecular structures, of any shape, given atomic coordinates, atomic van der Waals parameters, and atomic charges.

Article Title: Molecular dynamics and free energy analysis of neuraminidase-ligand interactions
Article Snippet: The linear PB equation was solved by using the DelPhi program ( Gilson et al. 1987 ), with a 0.5 Å grid resolution extending 20% beyond the solute.

Article Title: Pathways of ligand clearance in acetylcholinesterase by multiple copy sampling.
Article Snippet: 0022-2836/00/040705±22 $35.00/0 The clearance of seven different ligands from the deeply buried activesite of Torpedo californica acetylcholinesterase is investigated by combining multiple copy sampling molecular dynamics simulations, with the analysis of protein-ligand interactions, protein motion and the electrostatic potential sampled by the ligand copies along their journey outwards.. The considered ligands are the cations ammonium, methylammonium, and tetramethylammonium, the hydrophobic methane and neopentane, and the anionic product acetate and its neutral form, acetic acid.. We ®nd that the pathways explored by the different ligands vary with ligand size and chemical properties.

Article Title: Molecular dynamics simulation of human prion protein including both N-linked oligosaccharides and the GPI anchor.
Article Snippet: Calculation of the electrostatic potential was carried out with the DELPHI program (Gilson and Honig, 1987) in INSIGHTII-98 (1998, Molecular Simulations Inc., San Diego, CA), using default van der Waals radii and the same partial charges as in the simulation with AMBER.

Concentration Assay:

Article Title: A structural model of agonist binding to the α 3 β 4 neuronal nicotinic receptor
Article Snippet: .. The calculations were carried out assuming room temperature and a 0.150 m M salt concentration using the Delphi program ( Gilson & Honig, 1988 ; Honig & Nicholls, 1995 ). ..

Binding Assay:

Article Title: The crystal structure of a sulfurtransferase from Azotobacter vinelandii highlights the evolutionary relationship between the rhodanese and phosphatase enzyme families.
Article Snippet: 0022-2836/00/040691±14 $35.00/0 Rhodanese is an ubiquitous enzyme that in vitro catalyses the transfer of a sulfur atom from suitable donors to nucleophilic acceptors by way of a double displacement mechanism.. During the catalytic process the enzyme cycles between a sulfur-free and a persul®de-containing form, via formation of a persul®de linkage to a catalytic Cys residue.. In the nitrogen®xing bacteria Azotobacter vinelandii the rhdA gene has been identi®ed and the encoded protein functionally characterized as a rhodanese.

Solvent:

Article Title: Thermostable Variants of Cocaine Esterase for Long-Time Protection against Cocaine Toxicity
Article Snippet: .. The solvent shifts of the interaction energies were calculated by using the Delphi program ( Gilson et al., 1988 ). .. In addition, the empirical scoring function implemented in RosettaDesign program ( Kuhlman and Baker, 2000 ) was also used to estimate the interaction energies.

Article Title: Selection of medicaments that modulate the function and activity of interleukin 13
Article Snippet: .. Electrostatis potential calculations are done using the DELPHI program (Gilson and Honig, Nature 330(6143):84-86, 1987) implemented in DS Modeling 1.7 (Accelrys, Inc.) using the atomic partial charges assigned by CHARM with a protein interior dielectric constant of 4, a solvent dielectric constant of 80 and an ionic strength of 0.145M. ..

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