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Molecular Dynamics Inc dynamics (md) simulation data
Dynamics (Md) Simulation Data, supplied by Molecular Dynamics 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/data+md+simulation+data/dynamics++md++data/us11354595-22-18-15
Average 90 stars, based on 1 article reviews
dynamics (md) simulation data - by Bioz Stars, 2026-10
90/100 stars

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Article Title: Protein compactness and interaction valency define the architecture of a biomolecular condensate across scales
Article Snippet: Molecular dynamics (MD) data used in panels A, B, C. Figure 2 continued Video 3.

Article Title: Lessons on protein structure from interleukin-4: All disulfides are not created equal.
Article Snippet: Far-UV CD experiments were performed to evaluate the secondary structure of WTIL4 and 1SS-IL4 (Figure S5), as we reported previously for C3T-IL4 and C24T-IL4.34 A significant decrease in ellipticity as evidenced by a decrease in signal intensity at 193, 208 and 222 nm, was detected in the spectrum of 1SS-IL4, pointing towards a considerable loss in F IGURE 6 Average alpha-helix content of each IL4 variant (molecular dynamics [MD] data). (A) Average alpha-helix content presented by the five interleukin-4 (IL-4) variants along the 3 MD runs of 1000 ns. (B) Average alpha-helix content differences of the IL-4 mutants relatively to WT-IL4, exhibiting regions of major loss of alpha helix. nloaded from https://onlinelibrary.w iley.com /doi/10.1002/prot.26611 by G itam U niversity, W iley O nline L ibrary on [06/01/2024].

Article Title: Lin28, a major translation reprogramming factor, gains access to YB-1-packaged mRNA through its cold-shock domain
Article Snippet: Fig. 5 Molecular Dynamics (MD) data for Lin28 and YB-1 heterotrimers indicates the mechanism behind the mixing between YB-1 and Lin28 in the presence of RNA. a MD structures of YB-1 and Lin28 hetero-and homotypic trimer formed in the presence of 16 nt-long Poly(C) RNA (see Materials and Methods for details).

Article Title: Similarity-based hierarchical data loading for machine learning training
Article Snippet: In another aspect, high degrees of similarities may exist in specific groups of data (e.g., Molecular Dynamics (MD) simulation data and video frames).

Article Title: Inotuzumab therapy resulted in molecular remission of relapsed/resistant B-cell acute lymphoblastic leukemia with BCR::ABL1 Lys404Glu mutation.
Article Snippet: Molecular dynamics (MD) data revealed that all compounds are stable-bound during simulation in native BCR-ABL1 and K404E mutant.

Article Title: Integrating Mathematical and Computational Biochemistry with an Exploration of the Toxicological and Physical Dimensions of Novichok Agents: A QSAR and Molecular Dynamics Investigation
Article Snippet: The Molecular Dynamics (MD) extracted data set the stage for the subsequent Quantum Calculations presented in the following table.

Article Title: Rational Approach toward COVID-19’s Main Protease Inhibitors: A Hierarchical Biochemoinformatics Analysis
Article Snippet: The Molecular Dynamics (MD) data for hydrogen bond (H-bond) analysis showed that peptide compounds made more interactions than the crystallographic ligand (FJC) and two positive controls (lopinavir and ritonavir) in S1, S4, and S1′ M pro subsites, especially on another new site that was recently discovered [ ] (Cys44, Ser46, Glu47, and Asn119) ( ).

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Article Title: Protein compactness and interaction valency define the architecture of a biomolecular condensate across scales
Article Snippet: Molecular dynamics (MD) data used in panels A, B, C. Figure 2 continued Video 3.

Article Title: Lessons on protein structure from interleukin-4: All disulfides are not created equal.
Article Snippet: Far-UV CD experiments were performed to evaluate the secondary structure of WTIL4 and 1SS-IL4 (Figure S5), as we reported previously for C3T-IL4 and C24T-IL4.34 A significant decrease in ellipticity as evidenced by a decrease in signal intensity at 193, 208 and 222 nm, was detected in the spectrum of 1SS-IL4, pointing towards a considerable loss in F IGURE 6 Average alpha-helix content of each IL4 variant (molecular dynamics [MD] data). (A) Average alpha-helix content presented by the five interleukin-4 (IL-4) variants along the 3 MD runs of 1000 ns. (B) Average alpha-helix content differences of the IL-4 mutants relatively to WT-IL4, exhibiting regions of major loss of alpha helix. nloaded from https://onlinelibrary.w iley.com /doi/10.1002/prot.26611 by G itam U niversity, W iley O nline L ibrary on [06/01/2024].

Article Title: Lin28, a major translation reprogramming factor, gains access to YB-1-packaged mRNA through its cold-shock domain
Article Snippet: Fig. 5 Molecular Dynamics (MD) data for Lin28 and YB-1 heterotrimers indicates the mechanism behind the mixing between YB-1 and Lin28 in the presence of RNA. a MD structures of YB-1 and Lin28 hetero-and homotypic trimer formed in the presence of 16 nt-long Poly(C) RNA (see Materials and Methods for details).

Article Title: Similarity-based hierarchical data loading for machine learning training
Article Snippet: In another aspect, high degrees of similarities may exist in specific groups of data (e.g., Molecular Dynamics (MD) simulation data and video frames).

Article Title: Inotuzumab therapy resulted in molecular remission of relapsed/resistant B-cell acute lymphoblastic leukemia with BCR::ABL1 Lys404Glu mutation.
Article Snippet: Molecular dynamics (MD) data revealed that all compounds are stable-bound during simulation in native BCR-ABL1 and K404E mutant.

Article Title: Integrating Mathematical and Computational Biochemistry with an Exploration of the Toxicological and Physical Dimensions of Novichok Agents: A QSAR and Molecular Dynamics Investigation
Article Snippet: The Molecular Dynamics (MD) extracted data set the stage for the subsequent Quantum Calculations presented in the following table.

Article Title: Rational Approach toward COVID-19’s Main Protease Inhibitors: A Hierarchical Biochemoinformatics Analysis
Article Snippet: The Molecular Dynamics (MD) data for hydrogen bond (H-bond) analysis showed that peptide compounds made more interactions than the crystallographic ligand (FJC) and two positive controls (lopinavir and ritonavir) in S1, S4, and S1′ M pro subsites, especially on another new site that was recently discovered [ ] (Cys44, Ser46, Glu47, and Asn119) ( ).



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