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.
Electronic and optical properties of Te-doped GaN monolayer before and after adsorption of dimethylmercury - DFT+U/TDDFT & DFT-D2 methods
Publication date: Available online 8 January 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Yadollah Safaei Ardakani, Mahmood Moradi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - January 9, 2021 Category: Molecular Biology Source Type: research
Research of weak interaction between water and different monolayer graphene systems
Publication date: Available online 5 January 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Shixun Sun, Jiaming Song, Naiyu Cui, Mi-Za Kwon, HongXin Cai, Eui-Seok Lee, Heng Bo Jiang (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - January 6, 2021 Category: Molecular Biology Source Type: research
Single- and c0-sensitization of triphenylamine-based and asymmetrical squaraine dyes on the anatase (001) surface for DSSC applications: periodic DFT calculations
Publication date: Available online 5 January 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Ohoud S. Al-Qurashi, Abdesslem Jedidi, Nuha Wazzan (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - January 6, 2021 Category: Molecular Biology Source Type: research
A potential solution to avoid overdose of mixed drugs in the event of Covid-19: nanomedicine at the heart of the Covid-19 pandemic
Publication date: Available online 4 January 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Eric Duverger, Guillaume Herlem, Fabien Picaud (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - January 5, 2021 Category: Molecular Biology Source Type: research
Improving the Speed of Volumetric Density Map Generation via Cubic Spline Interpolation
Publication date: Available online 4 January 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Daniel R. Roe, Bernard R. Brooks (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - January 5, 2021 Category: Molecular Biology Source Type: research
The Effect of Ligand Affinity to the Contact Dynamics of the Ligand Binding Domain of Thyroid Hormone Receptor - Retinoid X Receptor
Publication date: Available online 3 January 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): James Peter L. Lim, Mac Kevin E. Braza, Ricky B. Nellas (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - January 3, 2021 Category: Molecular Biology Source Type: research
Methyl transfer reactions catalyzed by cobalamin-dependent enzymes: Insight from molecular docking
Publication date: Available online 31 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Szymon Malinowski, Arghya Pratim Ghosh, Sarah Edwards, Justyna Jaroszynska-Wolinska, Pawel M. Kozlowski (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - January 2, 2021 Category: Molecular Biology Source Type: research
DFT/B3LYP AND BP86 EXAMINATION OF MONONUCLEAR HALF-SANDWICH nd7 METALLO DRUG COMPLEXES BASED ON N∩O DENDRITIC SCAFFOLDS.
Publication date: Available online 1 January 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Simon Claude NDIKA NGOMB, TAMAFO FOUEGUE Aymard Didier, A.T.E.B.A.A.M.A.N.A. Baruch, Z.O.B.O.M.F.O.M.O. Joseph, M.B.A.Z.E.M.E.V.A.’A. Luc, B.I.K.E.L.E.M.A.M.A. Désiré (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - January 2, 2021 Category: Molecular Biology Source Type: research
High regioselectivity in the amination reaction of isoquinolinequinone derivatives using conceptual DFT and NCI analysis
Publication date: Available online 31 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): S. Kenouche, A. Belkadi, R. Djebaili, N. Melkemi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 31, 2020 Category: Molecular Biology Source Type: research
Understanding the mechanism of HIV-1 protease inhibition by monoclonal antibodies
Publication date: Available online 23 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Suchetana Gupta, Sangeetha Balasubramanian, Sanjib Senapati (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 23, 2020 Category: Molecular Biology Source Type: research
Computer-Aided Design of Glucoside Brain-Targeted Molecules Based on 4PYP
Publication date: Available online 21 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Ya Tian, Shuo Shen, Liwei Gu, Jianxin Zhou, Yujie Li, Xiaojun Zheng (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 23, 2020 Category: Molecular Biology Source Type: research
ab initio study of oxygen vacancy effects on structural, electronic and thermoelectric behavior of AZr1-xMxO3 (A = Ba, Ca, Sr; M= Al, Cu, x = 0.25) for application of memory devices
Publication date: Available online 21 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Ejaz Ahmad Khera, Hafeez Ullah, Muhammad Imran, Niaz Ahmad Niaz, Fayyaz Hussain, R.M.Arif Khalil, Umbreen Resheed, Anwar Manzoor Rana, Muhammad Iqbal Hussain, Chandreswar Mahata, Sungjun Kim (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 23, 2020 Category: Molecular Biology Source Type: research
DFT Study of cyclic glycine-alanine dipeptide binding to gold nanoclusters
Publication date: Available online 18 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Mohamed Taha, H.R. Abd El-Mageed, Ming-Jer Lee (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 19, 2020 Category: Molecular Biology Source Type: research
Cubane and cubanoid: structural, optoelectronic and thermodynamic properties from DFT and TD-DFT method
Publication date: Available online 18 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): L.S. Barbosa, E. Moreira, A.R. Lopes, A.L.A. Fonseca, D.L. Azevedo (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 19, 2020 Category: Molecular Biology Source Type: research
Adsorption studies of nucleobases on ε-arsenene nanosheet based on first-principles research
Publication date: Available online 17 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): V. Nagarajan, S. Sarvaka, R. Chandiramouli (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 17, 2020 Category: Molecular Biology Source Type: research