Journal of Molecular Graphics and Modelling This is an RSS file. You can use it to subscribe to this data in your favourite RSS reader or to display this data on your own website or blog.

Computational study of the effect of functionalization on natural gas components separation and adsorption in NUM-3a MOF
Publication date: Available online 2 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Azita Amouzad Khalili, Saeid Yeganegi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 3, 2020 Category: Molecular Biology Source Type: research

Remarkable enhancement in sensor ability of polyaniline upon composite formation with ZnO for industrial effluents
Publication date: Available online 1 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Bilal Ahmad Farooqi, Muhammad Yar, Ayesha Ashraf, Umar Farooq, Khurshid Ayub (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 1, 2020 Category: Molecular Biology Source Type: research

(3 + 2) cycloaddition reaction of 7-isopropylidenebenzonorbornadiene and diazomethane derivatives: A theoretical study
Publication date: December 2020Source: Journal of Molecular Graphics and Modelling, Volume 101Author(s): George Baffour Pipim, Richard Tia, Evans Adei (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 1, 2020 Category: Molecular Biology Source Type: research

Interaction of the maturation protein of the bacteriophage MS2 and the sex pilus of the Escherichia coli F plasmid
Publication date: Available online 29 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Timothy J. Spankie, Alexe L. Haywood, Tania Dottorini, Paul A. Barrow, Jonathan D. Hirst (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 30, 2020 Category: Molecular Biology Source Type: research

Electronic structure, cohesive and magnetic properties of iridium oxide clusters adsorbed on graphene
Publication date: Available online 29 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Isil Ilgaz Aysan, Taylan Gorkan, Ilkay Ozdemir, Yelda Kadioglu, Gökhan Gökoğlu, Ethem Aktürk (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 30, 2020 Category: Molecular Biology Source Type: research

A DFT-based finite element approach for studying elastic properties, buckling and vibration of the arsenene
Publication date: Available online 29 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): P. Aghdasi, R. Ansari, S. Rouhi, Sh. Yousefi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 29, 2020 Category: Molecular Biology Source Type: research

In silico characterisation of olive phenolic compounds as potential cyclooxygenase modulators. Part 1.
Publication date: Available online 26 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Julia Liang, Natalie P. Bonvino, Andrew Hung, Tom Karagiannis (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 27, 2020 Category: Molecular Biology Source Type: research

Discovery of a new non-substrate inhibitor of the 26.5 kDa glutathione transferase from Taenia solium by virtual screening
Publication date: November 2020Source: Journal of Molecular Graphics and Modelling, Volume 100Author(s): Ponciano García-Gutiérrez, Rafael A. Zubillaga, Alexandro Téllez-Plancarte, Roberto Flores-López, Menandro Camarillo-Cadena, Abraham Landa (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 25, 2020 Category: Molecular Biology Source Type: research

Molecular mechanism of Hetero Diels-Alder reactions between (E)-1,1,1-trifluoro-3-nitrobut-2-enes and enamine systems in the light of Molecular Electron Density Theory
Publication date: Available online 23 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Agnieszka Kącka-Zych, Radomir Jasiński (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 24, 2020 Category: Molecular Biology Source Type: research

Aqueous solutions of hydroxyl-functionalized ionic liquids: Molecular dynamics studies
Publication date: Available online 24 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Amol Chandrakar, B.L. Bhargava (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 24, 2020 Category: Molecular Biology Source Type: research

Theoretical Prediction of F-Doped Hexagonal Boron Nitride: A Promising Strategy to Enhance the Capacity of Adsorptive Desulfurization
Publication date: Available online 22 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Yujun Li, Naixia Lv, Chao Wang, Jinrui Zhang, Wendi Fu, Jie Yin, Hongping Li, Wenshuai Zhu, Huaming Li (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 23, 2020 Category: Molecular Biology Source Type: research

DNA Base Sequence Specificity through Partial Intercalation: DFT-D based Energy Analysis of Molecular Dynamics Snapshots
Publication date: Available online 22 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Soumi Das, Siddhartha Roy, Dhananjay Bhattacharyya (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 23, 2020 Category: Molecular Biology Source Type: research

In silico characterization of adipokinetic hormone receptor and screening for pesticide candidates against stick insect, Carausius morosus
Publication date: Available online 23 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Necla Birgul Iyison, Merve Gizem Sinmaz, Burcin Duan Sahbaz, Aida Shahraki, Busecan Aksoydan, Serdar Durdagi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 23, 2020 Category: Molecular Biology Source Type: research

Ligand-based pharmacophore modelling and virtual screening for the identification of amyloid-beta diagnostic molecules
Publication date: Available online 21 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Ephraim Felix Marondedze, Krishna Kuben Govender, Penny Poomani Govender (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 22, 2020 Category: Molecular Biology Source Type: research

Structure based Pharmacophore Modelling approach for the design of azaindole derivatives as DprE1 inhibitors for Tuberculosis
Publication date: Available online 21 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Suma KB, Ankita Kumari, Diya Shetty, Everlyse Fernandes, Chethan DV, Judy Jays, Manikanta Murahari (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 22, 2020 Category: Molecular Biology Source Type: research