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Marvin specifications

Information


Unique identifier OMICS_04977
Name Marvin
Software type Package/Module
Interface Graphical user interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Programming languages Java, Javascript
License Commercial
Computer skills Medium
Stability Stable
Maintained Yes

Subtools


  • MarvinSketch
  • MarvinView
  • Molconvert

Versioning


No version available

Marvin citations

 (288)
library_books

Intermolecular interaction as a direct measure of water solubility advantage of meloxicam cocrystalized with carboxylic acids

2018
J Mol Model
PMCID: 5911280
PMID: 29680958
DOI: 10.1007/s00894-018-3649-0

[…] rmation of two distinct types of inter- and intra-hydrogen bonding patterns related to its proton-donating and proton-accepting abilities. According to values of microacidities predicted by ChemAxon (MarvinSketch 16.9.12.0) the most acidic site corresponds to heterocyclic nitrogen atom N2 (see notation in Fig. ) for which pKa = 0.5. The hydroxyl group has a typical phenolic character with an estim […]

call_split

Identification of potent chromone embedded [1,2,3] triazoles as novel anti tubercular agents

2018
R Soc Open Sci
PMCID: 5936909
PMID: 29765644
DOI: 10.1098/rsos.171750
call_split See protocol

[…] The two-dimensional structures (.mol) of four compounds, i.e. 6f, 6h, 6o and 6s, were drawn and the structure was analysed by using Marvin view. The compounds were converted to three-dimensional structure (.pdb) using LigPrep tool []. LigPrep is a Schrödinger suite tool which is used to generate three-dimensional structures from t […]

library_books

An uracil linked hydroxyflavone probe for the recognition of ATP

2018
Beilstein J Org Chem
PMCID: 5905274
PMID: 29719572
DOI: 10.3762/bjoc.14.63

[…] optimized with the same functional and basis set. To mimic the experimental conditions all the DFT calculations were performed using the polarized continuum model (PCM) [] with water as solvent. The Marvin [], ORCA [], and MRCC [] packages were used, respectively, for the MM, DFT, and local CC calculations.In the of case of the DEHF∙ATP complex one stable structure was found, while regarding the […]

library_books

Expansions, diversification, and interindividual copy number variations of AID/APOBEC family cytidine deaminase genes in lampreys

2018
Proc Natl Acad Sci U S A
PMCID: 5889659
PMID: 29555777
DOI: 10.1073/pnas.1720871115

[…] ield in PROPKA 3.0. DNA substrates were docked to each AID or CDA model using Swiss-Dock (www.swissdock.ch). Each substrate was constructed in Marvin Sketch v.5.11.5 (www.chemaxon.com/products/marvin/marvinsketch/), while surface topology and docking parameters were generated using Swiss-Param (swissparam.ch). These output files served as the ligand file in Swiss Dock. The 5′-TTTGCTT-3′ ssDNA subs […]

library_books

Varied Length Stokes Shift BODIPY Based Fluorophores for Multicolor Microscopy

2018
Sci Rep
PMCID: 5854673
PMID: 29545600
DOI: 10.1038/s41598-018-22892-8

[…] 4.6 × 50 mm), where purity was determined through area under the curve (AUC) analysis of the absorbance at 254 nm (Table ). Physiochemical properties of the BAA library (Table ) were calculated using Marvinsketch (ChemAxon, Cambridge, MA). Density functional theory (DFT) calculations at the B3LYP/6-31 G(d,p) level were performed using Gaussian 09 (Gaussian, Inc., Wallingford, CT). 1H NMR spectra w […]

library_books

Prediction of Phase Behavior of Spray Dried Amorphous Solid Dispersions: Assessment of Thermodynamic Models, Standard Screening Methods and a Novel Atomization Screening Device with Regard to Prediction Accuracy

2018
PMCID: 5874842
PMID: 29518936
DOI: 10.3390/pharmaceutics10010029

[…] roperties in term of chemical structure, H-bond donor/acceptor sites, molecular weight, crystallization tendency, and thermal properties as reported in . The chemical properties were determined using MarvinSketch software (ChemAxon, Budapest, Hungary, version 6.3.0). The thermal properties were experimentally characterized using mDSC and thermogravimetric analysis TGA/SDTA 851e (Mettler Toledo, Co […]

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