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Accelrys material studio 2022
Material Studio 2022, supplied by Accelrys, 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/material+studio+software/materials+studio+software/pmc09000310-79-6-9
Average 90 stars, based on 1 article reviews
material studio 2022 - by Bioz Stars, 2026-11
90/100 stars

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Related Articles

Solvent:

Article Title: Supporting Information Nanoporous Films with Oriented Arrays of Molecular Motors for Photoswitching the Guest Adsorption and Diffusion
Article Snippet: .. The solvent-accessible surface area of the MOF structure in both states were calculated by the “Atom Volumes & Surface” tool with geometry optimized structure with “Forcite calculation” tool in the MaterialStudio software (BIOVIA). ..

Software:

Article Title: Supporting Information Nanoporous Films with Oriented Arrays of Molecular Motors for Photoswitching the Guest Adsorption and Diffusion
Article Snippet: .. The solvent-accessible surface area of the MOF structure in both states were calculated by the “Atom Volumes & Surface” tool with geometry optimized structure with “Forcite calculation” tool in the MaterialStudio software (BIOVIA). ..

Article Title: In-Silico Exploration of the StreptomeDB Database for Potential Irreversible DprE1 Inhibitors toward Antitubercular Treatment.
Article Snippet: .. Ultimately, graphical representations of the investigated StreptomeDB compounds were generated with the help of the BIOVIA Materials Studio software. ..

other:

Article Title: Supporting Information Self-assembled Ru(bda) Coordination Oligomers as Efficient Catalysts for Visible Light-Driven Water Oxidation in Pure Water
Article Snippet: [S9] BIOVIA, Materials Studio 2017, Release 17.1.0.48, San Diego: BIOVIA, 2007.

Article Title: Mixed-Anion Inorganic Zn Halide Rb 3 ZnCl 4 I.
Article Snippet: Lead-free halides, recognized for their nontoxic properties and remarkable stability, have emerged as promising candidates for various optoelectronic applications.. In this work, we report the discovery of a novel all-inorganic zinc halide, Rb3ZnCl4I.. With the doping of Mn2+ ion, the as-obtained Rb3Zn1−xMnxCl4I single crystals show intense green photoluminescence with a full width at half-maximum (fwhm) of 52 nm and a peak at 525 nm.

Article Title: A Triply Linked Propellane–Nanoring Hybrid Serving as Good Host
Article Snippet: Periodic DFT calculations were performed to optimize the host-guest system and binding energy of C2H6/C2H4 interaction with the molecule of x, using Perdew-Burke-Ernzerhof (PBE) method [20,21] with Grimme’s DFT-D correction [22] in Dmol3 [23] module in Materials Studio 8.0 of Accelrys.

Article Title: Impact of Post-Translational Succination on Small Ubiquitin-Like Modifier 1 Structure: A Dual Approach Combining Gas Phase and Solution Studies
Article Snippet: SUMO1 (small ubiquitin-like modifier 1) is a key protein involved in the post-translational modification of a wide range of substrate proteins.. SUMOylation plays a pivotal role in regulating various cellular processes such as protein localization, functional modulation, and complex formation.. Notably, SUMO1 contains a cysteine residue in its sequence, making it susceptible to succination, i.e., a Michael addition of cysteine onto fumarate, forming a succinated cysteine.

Generated:

Article Title: In-Silico Exploration of the StreptomeDB Database for Potential Irreversible DprE1 Inhibitors toward Antitubercular Treatment.
Article Snippet: .. Ultimately, graphical representations of the investigated StreptomeDB compounds were generated with the help of the BIOVIA Materials Studio software. ..

Analysis:

Article Title: CH-π Multi-Interaction-Driven Recognition and Isolation of Planar Compounds in a Spheroidal Polyaromatic Cavity
Article Snippet: .. C.01) package, Molecular mechanics calculation: Forcite module, BIOVIA Materials Studio 2020, version 20.1.0.5 (Dassault Systèmes Co.), NCI analysis: NCIPLOT 4.0, Calculations: DFT calculations of capsule 1 (R = R’ = H) and its host-guest complexes were performed for the geometry optimizations (CAM-B3LYP+D3BJ/LanL2DZ (Pd), 6-31G(d,p) (others) level of theory) and single-point calculations (CAM-B3LYP+D3BJ/LanL2DZ (Pd), 6-31G(d,p) (others), PCM (CH3CN) level of theory). ..

Chick Chorioallantoic Membrane Assay:

Article Title: CH-π Multi-Interaction-Driven Recognition and Isolation of Planar Compounds in a Spheroidal Polyaromatic Cavity
Article Snippet: .. C.01) package, Molecular mechanics calculation: Forcite module, BIOVIA Materials Studio 2020, version 20.1.0.5 (Dassault Systèmes Co.), NCI analysis: NCIPLOT 4.0, Calculations: DFT calculations of capsule 1 (R = R’ = H) and its host-guest complexes were performed for the geometry optimizations (CAM-B3LYP+D3BJ/LanL2DZ (Pd), 6-31G(d,p) (others) level of theory) and single-point calculations (CAM-B3LYP+D3BJ/LanL2DZ (Pd), 6-31G(d,p) (others), PCM (CH3CN) level of theory). ..

Reflux:

Article Title: Supporting Information Vinylene-Linked 2D Conjugated Covalent Organic Frameworks by Wittig Reactions
Article Snippet: .. The Pawley refinements of the experimental PXRD data of V-2D-COFs were performed through the Reflux module in BIOVIA Materials Studio 2020. ..



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