Nishant Biswakarma
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View article: Identification of Effective Cyclin-Dependent Kinase 3/Cyclin E Inhibitors Using Multi-Level Computational Screening and Simulation
Identification of Effective Cyclin-Dependent Kinase 3/Cyclin E Inhibitors Using Multi-Level Computational Screening and Simulation Open
Cyclin-dependent kinase 3 (CDK3) plays a crucial role in regulating cell cycle progression through the G0/G1 and G1/S phases. Although extensively lowered in normal tissue, CDK3 is overexpressed in multiple cancers, making it a promising t…
View article: In Situ Ni(II) Complexation Induced Deprotonation of Bis-Thiourea-Based Tweezers in DMSO–Water Medium: An Approach toward Recognition of Fluoride Ions in Water with Organic Probe Molecules
In Situ Ni(II) Complexation Induced Deprotonation of Bis-Thiourea-Based Tweezers in DMSO–Water Medium: An Approach toward Recognition of Fluoride Ions in Water with Organic Probe Molecules Open
Recognition of fluoride in water through the fluoride-induced Brönsted acid-base deprotonation reaction of an organic probe molecule is still a challenging task owing to the lower basicity of fluoride ions and the instability of the conjug…
View article: Exploring polymorphism, stoichiometric diversity and simultaneous existence of salt and cocrystal during cocrystallization using mechanochemistry
Exploring polymorphism, stoichiometric diversity and simultaneous existence of salt and cocrystal during cocrystallization using mechanochemistry Open
We demonstrate here the mechanochemical cocrystallization of trans -aconitic acid with nicotinamide that resulted salt and cocrystal forms with stoichiometric diversity, polymorphism and high Z ′′.
View article: Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes"
Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes" Open
The dataset contains: DFT and MD Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes".
View article: Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes"
Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes" Open
Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes". The dataset contains: Table 1: Co-ordinates of optimized structures of …
View article: Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes"
Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes" Open
The dataset contains: DFT and MD Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes".
View article: Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes"
Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes" Open
The dataset contains: DFT and MD Data for the manuscript "Bridged Nucleic Acid ASOs over Locked Nucleic Acid ASOs and their impact on the structure and stability of ASO/RNA duplexes".
View article: Design of LNA Analogues Using a Combined Density Functional Theory and Molecular Dynamics Approach for RNA Therapeutics
Design of LNA Analogues Using a Combined Density Functional Theory and Molecular Dynamics Approach for RNA Therapeutics Open
Antisense therapeutics treat a wide spectrum of diseases, many of which cannot be addressed with the current drug technologies. In the quest to design better antisense oligonucleotide drugs, we propose five novel LNA analogues (A1-A5) for …
View article: Structure and Stability of (CeO2)n0,±1 (n=1-3) Clusters towards the Adsorption and Co-adsorption of CO and H2O from DFT Study
Structure and Stability of (CeO2)n0,±1 (n=1-3) Clusters towards the Adsorption and Co-adsorption of CO and H2O from DFT Study Open
Stability of (CeO2)n0,±1(n=1-3) clusters and adsorption of CO and H2O as well as co-adsorption of CO/H2O species on the same clusters are studied using M06L/def2TZVPP level of theory. We have considered this study as this fundamental inves…
View article: Structure, Stability and Reactivity of (Ceo2)N0,±1 (N=1, 2) Clusters Towards the Adsorption and Co-Adsorption of Co and H2o from Dft Study
Structure, Stability and Reactivity of (Ceo2)N0,±1 (N=1, 2) Clusters Towards the Adsorption and Co-Adsorption of Co and H2o from Dft Study Open