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.

Virtual screening and molecular dynamics study of approved drugs as inhibitors of spike protein S1 domain and ACE2 interaction in SARS-CoV-2
Publication date: Available online 21 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Manisha Prajapat, Nishant Shekhar, Phulen Sarma, Pramod Avti, Sanjay Singh, Hardeep Kaur, Anusuya Bhattacharyya, Subodh Kumar, Saurabh Sharma, Ajay Prakash, Bikash Medhi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 21, 2020 Category: Molecular Biology Source Type: research

Molecular Modelling Investigation for Drugs and Nutraceuticals against Protease of SARS-CoV-2
Publication date: Available online 18 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Kanchanok Kodchakorn, Yong Poovorawan, Kamol Suwannakarn, Prachya Kongtawelert (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 19, 2020 Category: Molecular Biology Source Type: research

A theoretical approach of star-shaped molecules with triphenylamine core as sensitizer for their potential application in dye sensitized solar cells
Publication date: Available online 16 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Xiaoli Lv, Shanshan Tang, Dadong Liang, Ruifa Jin (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 17, 2020 Category: Molecular Biology Source Type: research

(3 + 2) Cycloaddition Reaction of 7-Isopropylidenebenzonorbornadiene and Diazomethane Derivatives: A Theoretical Study
Publication date: Available online 15 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): George Baffour Pipim, Richard Tia, Evans Adei (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 17, 2020 Category: Molecular Biology Source Type: research

Molecular Dynamics Study of the Effect of Alloying Elements and Imperfections on Linear Friction Welding of Cu and Ni Metals
Publication date: Available online 15 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): M. Khodakarami, A. Farzadi, A. Ramazani (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 15, 2020 Category: Molecular Biology Source Type: research

A cheminformatic study on chemical space characterization and diversity analysis of 5-LOX inhibitors
Publication date: November 2020Source: Journal of Molecular Graphics and Modelling, Volume 100Author(s): T.K. Shameera Ahamed, K. Muraleedharan (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 15, 2020 Category: Molecular Biology Source Type: research

Novel green phosphorene sheets to detect tear gas molecules - A DFT insight
Publication date: Available online 13 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): R. Bhuvaneswari, V. Nagarajan, R. Chandiramouli (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 13, 2020 Category: Molecular Biology Source Type: research

Insight into the structural and functional analysis of the impact of missense mutation on Cytochrome P450 oxidoreductase
Publication date: Available online 5 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Rajalakshmi Kumar, Manikandan Jayaraman, Adithan Chandrasekaran, Ramadas Krishna (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 13, 2020 Category: Molecular Biology Source Type: research

Prediction of critical properties of sulfur-containing compounds: New QSPR models
Publication date: Available online 6 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Zahra Ghomisheh, Ali Ebrahimpoor Gorji, Mohammad Amin Sobati (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 13, 2020 Category: Molecular Biology Source Type: research

A novel alignment-free DNA sequence similarity analysis approach based on top-k n-gram match-up
Publication date: Available online 7 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Emre Delibaş, Ahmet Arslan, Abdulkadir Şeker, Banu Diri (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 13, 2020 Category: Molecular Biology Source Type: research

Structural Analysis of Experimental Drugs Binding to the SARS-CoV-2 Target TMPRSS2
Publication date: Available online 11 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): David J. Huggins (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 13, 2020 Category: Molecular Biology Source Type: research

The effects of mutation and modification on the structure and stability of human lysozyme: a molecular link between carbamylation and atherosclerosis
Publication date: Available online 4 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Hassan Monhemi, Seyedeh Samaneh Tabaee (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 5, 2020 Category: Molecular Biology Source Type: research

Chemical Space and Diversity of Seaweed Metabolite Database (SWMD): A Cheminformatics Study
Publication date: Available online 4 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Ahmed H. Al Sharie, Tamam El-Elimat, Yazan O. Al Zu’bi, Abdelwahab J. Aleshawi, José L. Medina-Franco (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 5, 2020 Category: Molecular Biology Source Type: research

Equation of State Modeling and Force Field-Based Molecular Dynamics Simulations of Supercritical Polyethylene + Hexane + Ethylene Systems
Publication date: Available online 4 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Moeed Shahamat, Alejandro D. Rey (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 5, 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: Available online 5 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(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 5, 2020 Category: Molecular Biology Source Type: research