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.

A DFT-D2 study on the adsorption of phosgene derivatives and chloromethyl chloroformate on pristine and Fe4-decorated graphene
Publication date: Available online 10 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Bharti Jogender, Mandeep Badhani, Rita Kakkar (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 10, 2020 Category: Molecular Biology Source Type: research

Proposal of new Spinel oxides semiconductors ZnGaO2, [ZnGaO2]:Mn3+ and Rh3+: ab-initio calculations and prospects for Thermophysical and optoelectronic applications
Publication date: Available online 10 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Muhammad Irfan, Sikander Azam, Bakhtyar Ul Haq, Tuan V. Vu (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 10, 2020 Category: Molecular Biology Source Type: research

Editorial Board
Publication date: November 2020Source: Journal of Molecular Graphics and Modelling, Volume 100Author(s): (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 10, 2020 Category: Molecular Biology Source Type: research

Permeation of second row neutral elements through Al12P12 and B12P12 nanocages; a first-principles study
Publication date: Available online 9 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Saira Sajjad, Muhammad Ali Hashmi, Tariq Mahmood, Khurshid Ayub (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 9, 2020 Category: Molecular Biology Source Type: research

QSAR Models for the Fumigant Activity Prediction of Essential Oils
Publication date: Available online 9 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Pablo R. Duchowicz, Daniel O. Bennardi, Erlinda V. Ortiz, Nieves C. Comelli (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 9, 2020 Category: Molecular Biology Source Type: research

Targeting shikimate pathway: in silico analysis of phosphoenolpyruvate derivatives as inhibitors of EPSP synthase and DAHP synthase
Publication date: Available online 6 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Maycon D. de Oliveira, Jéssica de O. Araújo, João M.P. Galúcio, Kauê Santana, Anderson H. Lima (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 6, 2020 Category: Molecular Biology Source Type: research

In silico identification of novel PrfA inhibitors to fight listeriosis: A virtual screening and molecular dynamics studies
Publication date: Available online 3 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Bilal Nizami, Wen Tan, Xabier Arias-Moreno (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 4, 2020 Category: Molecular Biology Source Type: research

In silico characterisation of olive phenolic compounds as potential cyclooxygenase modulators. Part 2.
Publication date: Available online 3 September 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 - September 4, 2020 Category: Molecular Biology Source Type: research

The Effect of Anion on Aggregation of Amino Acid Ionic Liquid: Atomistic Simulation
Publication date: Available online 3 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Hanieh Nadimi, Mohammad Reza Housaindokht, Fatemeh Moosavi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 4, 2020 Category: Molecular Biology Source Type: research

Design of novel conjugated microporous polymers for efficient adsorptive desulfurization of small aromatic sulfur molecules
Publication date: Available online 3 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Wen-Jie Fan, Na Liu, Wei-Qiang Zhu, Yin-Bu Mao, Da-Zhi Tan (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 4, 2020 Category: Molecular Biology Source Type: research

Physics-driven identification of FDA-approved drugs against human neutrophil serine protease 4 (NSP4): A Virtual Drug Repurposing Study
Publication date: Available online 4 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Jamshaid Ahmad, Saima Ikram, Ahmer Bin Hafeez, Serdar Durdagi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 4, 2020 Category: Molecular Biology Source Type: research

The cut-off effect of n-alcohols in lipid rafts: a lipid-dependent phenomenon☆
Publication date: Available online 2 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Patricio A. Zapata-Morin, F.J. Sierra-Valdez, J.C. Ruiz-Suárez (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 4, 2020 Category: Molecular Biology Source Type: research

Molecular insights into water desalination performance of pristine graphdiyne nanosheet membrane
Publication date: Available online 1 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Nasrin Banan, Jafar Azamat, Hamid Erfan-Niya, Sima Majidi, Leila Khazini (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 3, 2020 Category: Molecular Biology Source Type: research

Potent Novel Inhibitors Against Hepatitis C Virus NS3 (HCV NS3 GT-3a) Protease Domain
Publication date: Available online 1 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Saima Ikram, Jamshaid Ahmad, Irshad-Ur- Rehman, Serdar Durdagi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 3, 2020 Category: Molecular Biology Source Type: research

Targeting the SARS-CoV-2 main protease using FDA-approved Isavuconazonium, a P2-P3 α-ketoamide derivative and Pentagastrin: an in-silico drug discovery approach
Publication date: Available online 2 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Ikechukwu Achilonu, Emmanuel Amarachi Iwuchukwu, Okechinyere Juliet Achilonu, Manuel Antonio Fernandes, Yasien Sayed (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 3, 2020 Category: Molecular Biology Source Type: research