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.

Transcription Factor NF-κB as Target for SARS-CoV-2 Drug Discovery Efforts Using Inflammation-based QSAR Screening Model
Publication date: Available online 23 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Tarek Kanan, Duaa Kanan, Ebrahim Jaafar Al Shardoub, Serdar Durdagi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 23, 2021 Category: Molecular Biology Source Type: research

In Silico Study of Levodopa in Hydrated Lipid Bilayers at the Atomistic Level
Publication date: Available online 17 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Grigorios Megariotis, Nikolaos Romanos, Aggelos Avramopoulos, Georgios Mikaelian, Doros N. Theodorou (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 19, 2021 Category: Molecular Biology Source Type: research

Graph Convolutional Network Approach to Investigate Potential Selective Limk1 Inhibitors
Publication date: Available online 16 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Weihe Zhong, Lu Zhao, Ziduo Yang, Calvin Yu-Chian Chen (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 17, 2021 Category: Molecular Biology Source Type: research

Energetic and structural basis for the differences in infectivity between the wild-type and mutant spike proteins of SARS-CoV-2 in the Mexican population
Publication date: Available online 17 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Martiniano Bello, Md. Kamrul Hasan, Nazmul Hussain (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 17, 2021 Category: Molecular Biology Source Type: research

Multifunctional Inhibitors of SARS CoV2 by MM/PBSA, Essential dynamics, and Molecular dynamic investigations.
Publication date: Available online 17 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): K. Amith Kumar, Monica Sharma, Vikram Dalal, Vishakha Singh, Shailly Tomar, Pravindra Kumar (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 17, 2021 Category: Molecular Biology Source Type: research

Thermodynamic properties and hysteresis loops in a hexagonal core-shell nanoparticle
Publication date: Available online 15 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Si-yu Wang, Dan Lv, Zhen-yu Liu, Wei Wang, Jia Bao, Han Huang (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 16, 2021 Category: Molecular Biology Source Type: research

Quantum chemical calculations on dissolution of dimethylformamide in ethaline
Publication date: Available online 16 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Payam Kalhor, Ommolbanin Yarivand, Kumars Seifpanahi-Shabani (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 16, 2021 Category: Molecular Biology Source Type: research

Prediction of protein ubiquitination sites via multi-view features based on eXtreme gradient boosting classifier
Publication date: Available online 15 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Yushuang Liu, Shuping Jin, Lili Song, Yu Han, Bin Yu (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 15, 2021 Category: Molecular Biology Source Type: research

The vibronic absorption spectrum and electronic properties of Azure B in aqueous solution: TD-DFT/DFT study
Publication date: Available online 11 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Lyudmila O. Kostjukova, Svetlana V. Leontieva, Victor V. Kostjukov (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 12, 2021 Category: Molecular Biology Source Type: research

Influence of Curcumin and Rosmarinic Acid on Disrupting the General Properties of Alpha-Synuclein Oligomer: Molecular Dynamics Simulation
Publication date: Available online 11 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Mahrokh Rezaei Kamelabad, Jaber Jahanbin Sardroodi, Alireza Rastkar Ebrahimzadeh, Marzieh Ajamgard (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 12, 2021 Category: Molecular Biology Source Type: research

Examining the interactions scorpion venom peptides (HP1090, Meucin-13, and Meucin-18) with the receptor binding domain of the coronavirus spike protein to design a mutated therapeutic peptide
Publication date: September 2021Source: Journal of Molecular Graphics and Modelling, Volume 107Author(s): Karim Mahnam, Maryam Lotfi, Farzaneh Ahmadi Shapoorabadi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 11, 2021 Category: Molecular Biology Source Type: research

Editorial Board
Publication date: July 2021Source: Journal of Molecular Graphics and Modelling, Volume 106Author(s): (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 10, 2021 Category: Molecular Biology Source Type: research

Regio- and stereoselectivity of the [3+2] cycloaddition of nitrones with methyl-acetophenone: A DFT investigation
Publication date: Available online 7 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Mohamed Oussama Zouaghi, Mohamed Yassine Doggui, Youssef Arfaoui (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 8, 2021 Category: Molecular Biology Source Type: research

Molecular Simulation of Nano Polyhedral Oligomeric Silsesquioxane Doping Effect on the Properties of Two-component Crosslinked Epoxy Resin
Publication date: Available online 7 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Jun Xie, Chaoxuan Xiao, Lei Zhang, Fangcheng Lü, Qing Xie, Li Cheng (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 8, 2021 Category: Molecular Biology Source Type: research

Modeling Protein Association from Homogeneous to Mixed Environments: A Reaction-Diffusion Dynamics Approach
Publication date: Available online 4 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Suraj Kumar Sahu, Mithun Biswas (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 6, 2021 Category: Molecular Biology Source Type: research