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Biosym Technologies insight ii software package
Insight Ii Software Package, supplied by Biosym Technologies, 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/insight+ii+software+package/insight+ii+software/pmc03042012-167-20-24
Average 90 stars, based on 1 article reviews
insight ii software package - by Bioz Stars, 2026-09
90/100 stars

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Article Title: Importance of partially unfolded conformations for Mg(2+)-induced folding of RNA tertiary structure: structural models and free energies of Mg2+ interactions.
Article Snippet: RNA molecules in monovalent salt solutions generally adopt a set of partially folded conformations containing only secondary structure, the intermediate or I state.. Addition of Mg2+ strongly stabilizes the native tertiary structure (N state) relative to the I state.. In this paper, a combination of experimental and computational approaches is used to estimate the free energy of the interaction of Mg2+ with partially folded I state RNAs and to consider the possibility that Mg2+ favors “compaction” of the I state to a set of conformations with a higher average charge density.

Article Title: Hydration of Watson-Crick base pairs and dehydration of Hoogsteen base pairs inducing structural polymorphism under molecular crowding conditions.
Article Snippet: It has been revealed recently that molecular crowding, which is one of the largest differences between in vivo and in vitro conditions, is a critical factor determining the structure, stability, and function of nucleic acids.. However, the effects of molecular crowding on Watson-Crick and Hoogsteen base pairs remain unclear.. In order to investigate directly and quantitatively the molecular crowding effects on base pair types in nucleic acids, we designed intramolecular paralleland antiparallel-stranded DNA duplexes consisting of Hoogsteen and Watson-Crick base pairs, respectively, as well as an intramolecular parallelstranded triplex containing both types of base pairs.

Article Title: Comparative genomics allowed the identification of drug targets against human fungal pathogens
Article Snippet: .. The homologous sequences allowed the construction of a 3D model of TRR1 and KRE2 using the homology module of the Insight II software package (Biosym/MSI, San Diego, Accelrys Inc. 2001). ..

Article Title: Identification and molecular modeling of a family 5 endocellulase from Thermus caldophilus GK24, a cellulolytic strain of Thermus thermophilus
Article Snippet: .. After the above simulations, the final model was obtained by carrying out MD simulations using the Discover 3 software package [55] in Insight II software package developed by Biosym Technologies. ..

Article Title: A designed Zn2+-binding amphiphilic polypeptide: energetic consequences of pi-helicity.
Article Snippet: The π-helix is a secondary structure with 4.4 amino acids per helical turn.. Although it was proposed in 1952, no experimental support for its existence was obtained until the mid-1980s.. While short peptides are unlikely to assume a marginally stable secondary structure spontaneously, they might do so in the presence of appropriate structural constraints.

Article Title: Evaluating substrate specificity of glutathione peroxidase mimic by molecular dynamics simulations and kinetics
Article Snippet: The substrate specificities of glutathione peroxidase (GPX) mimic, 6,60-ditellurobis(6-deoxy-b-cyclodextrin) (6-TeCD), for three hydroperoxides (ROOH), H2O2, tertbutyl hydroperoxide (t-BuOOH) and cumene hydroperoxide (CuOOH), are investigated through molecular dynamics (MD) simulations.. The most stable conformations and the total interaction energies of complex of 6-TeCD with ROOH are used to evaluate the substrate specificity of 6-TeCD.. The steady-state kinetics of 6-TeCD is studied and the Michaelis-Menten constant (Km) and second-order rate constant kmax/KROOH show that 6-TeCD displays different affinity and specificity to ROOH.

Article Title: Structural and functional analysis of the two haemoglobins of the antarctic seabird Catharacta maccormicki characterization of an additional phosphate binding site by molecular modelling.
Article Snippet: .. Computer graphics, structural manipulations and energy minimization calculations were carried out with a Silicon Graphics Indigo workstation using the insight ii software package (Biosym/Molecular Simulation Incorporated, MSI). ..

Article Title: Fragmentation mechanisms of oxidized peptides elucidated by SID, RRKM modeling, and molecular dynamics.
Article Snippet: .. Molecular dynamics calculations were done using the Insight II software package from Biosym Technologies (San Diego, CA). ..

Residue:

Article Title: A designed Zn2+-binding amphiphilic polypeptide: energetic consequences of pi-helicity.
Article Snippet: The π-helix is a secondary structure with 4.4 amino acids per helical turn.. Although it was proposed in 1952, no experimental support for its existence was obtained until the mid-1980s.. While short peptides are unlikely to assume a marginally stable secondary structure spontaneously, they might do so in the presence of appropriate structural constraints.



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