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Dassault Systemes discovery studio 2016
Discovery Studio 2016, supplied by Dassault Systemes, used in various techniques. Bioz Stars score: 86/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/discovery+studio+2016/2016+client+discovery+studio/pmc13063194-116-0-3
Average 86 stars, based on 1 article reviews
discovery studio 2016 - by Bioz Stars, 2026-11
86/100 stars

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Article Title: Ru(II)‐Nitrophenylhydrazine/Chlorophenylhydrazine Complexes: Nanoarchitectonics, Biological Evaluation and <i>In silico</i> Study
Article Snippet: Ru(II)-arene compounds are being investigated as anticancer agents due to the biocompatibility of ruthenium and their structural diversity.. Two newly synthesized Ru(II) complexes, [RuCl(η-p-cymene)(3-DNPH)] (chlorido(η-p-cymene)(3-nitrophenylhydrazine-kN,N’)ruthenium(II)) (1) and [RuCl(η-p-cymene)(3CNPH)] (chlorido(3-chlorophenylhydrazine-kN,N’)(η-p-cymene)ruthenium(II)) (2), are experimentally (IR, NMR) and theoretically (B3LYP/6-31+G(d,p)(H,C,N,Cl)/LanL2DZ(Ru)) characterized.. Experimental and theoretical values of H and C chemical shifts and position of the most intense vibrational bands showed high correlation coefficients and low mean absolute errors, proving the predicted structure and applicability of the selected level of theory.

Article Title: A concise enzyme cascade enables the manufacture of natural and halogenated protoberberine alkaloids.
Article Snippet: The structure of TfS9OMTM was built by Alphafold2 based on the crystal structure of TfS9OMT (PDB accession6NEJ, scoulerine 9-Omethyltransferase). (S)-7awasdocked into TfS9OMTM usingCDOCKER protocol in Discovery Studio 2016 (DS) (Dassault Systèmes BIOVIA Discovery Studio Modeling Environment, Release 2017, Dassault Systèmes, San Diego, 2016).

Article Title: Design of novel HIV-1 protease inhibitors with favorable oral properties using a virtual screening and lead optimization approach
Article Snippet: BIOVIA DS (2016) Discovery Studio 2016, San Diego: Dassault Systèmes.

Article Title: In Silico Comparative Analysis of Ivermectin and Nirmatrelvir Inhibitors Interacting with the SARS-CoV-2 Main Protease
Article Snippet: The characterization of interactions between Ivermectin and M pro was facilitated using ChimeraX, Resource for Biocomputing, Visualization, and Informatics, San Francisco, CA, USA [ ] and Discovery Studio 2016, Dassault Systèmes, San Diego, CA, USA [ ] programs.

Article Title: Binding of Steroid Hormones to the FA1 and FA6 Sites of Human Serum Albumin through Computational Biology and Quantum Biochemistry
Article Snippet: Discovery Studio 2016 (Dassault System̀es) was used to prepare the HSA structure, remove crystallographic water molecules and minor ligands, perform ligand geometry optimization, and analyze noncovalent protein−ligand interactions.

Article Title: Binding of Steroid Hormones to the FA1 and FA6 Sites of Human Serum Albumin through Computational Biology and Quantum Biochemistry
Article Snippet: Discovery Studio 2016 (Dassault Systèmes) was used to prepare the HSA structure, remove crystallographic water molecules and minor ligands, perform ligand geometry optimization, and analyze noncovalent protein–ligand interactions.


Modification:

Article Title: Integrating network pharmacology and experimental validation to explore the potential mechanism by which resveratrol acts on osimertinib resistance in lung cancer.
Article Snippet: .. Discovery Studio 2016 (Dassault Systèmes S.E.) was then employed for the processes of dehydration and hydro‐ genation, the modification of amino acid residues and energy minimization. ..



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