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.

Effects of Selective Calcium Channel Blockers on Ions’ Permeation Through The Human Cav1.2 Ion Channel: A Computational Study
Publication date: Available online 22 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Farag.E.S. Mosa, Suryanarayanan C, Tianhua Feng, Khaled Barakat (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 22, 2020 Category: Molecular Biology Source Type: research

The influence of π-linkers configuration on properties of 10-hexylphenoxazine donor-based sensitizer for dye-sensitized solar cell application – Theoretical approach
Publication date: Available online 20 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): P. Pounraj, P. Ramasamy, M. Senthil Pandian (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 21, 2020 Category: Molecular Biology Source Type: research

Exploring the intrinsic dynamics of SARS-CoV-2, SARS-CoV and MERS-CoV spike glycoprotein through normal mode analysis using anisotropic network model
Publication date: Available online 16 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Satyabrata Majumder, Dwaipayan Chaudhuri, Joyeeta Datta, Kalyan Giri (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 18, 2020 Category: Molecular Biology Source Type: research

Structural and Dynamical Effects of Targeted Mutations on μO-Conotoxin MfVIA: Molecular Simulation Studies
Publication date: Available online 16 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Lina Zhao, Lisa M. Barber, Andrew Hung (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 18, 2020 Category: Molecular Biology Source Type: research

Computational engineering the binding affinity of Adalimumab monoclonal antibody for designing potential biosimilar candidate
Publication date: Available online 8 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Md. Abdullah-Al-Kamran Khan, Rafeed Rahman Turjya, Abul Bashar Mir Md. Khademul Islam (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 15, 2020 Category: Molecular Biology Source Type: research

Water-vapochromic behavior of a mononuclear Pd(II) complex of piroxicam: A DFT and TD-DFT study
Publication date: Available online 8 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Hamidreza Jouypazadeh, Hossein Farrokhpour, Maedeh Karbasizadeh, Hassan Hadadzadeh (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 15, 2020 Category: Molecular Biology Source Type: research

Molecular screening of antimalarial, antiviral, anti-inflammatory and HIV protease inhibitors against spike glycoprotein of Coronavirus
Publication date: Available online 13 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): C.N. Prashantha, K. Gouthami, L. Lavanya, Sivaramireddy Bhavanam, Ajay Jain, R.G. Shakthiraju, V. Suraj, K.V. Sahana, H.S. Sujana, N.M. Guruprasad, R. Ramachandra (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 15, 2020 Category: Molecular Biology Source Type: research

Virtual screening and free energy estimation for identifying Mycobacterium tuberculosis flavoenzyme DprE1 inhibitors
Publication date: January 2021Source: Journal of Molecular Graphics and Modelling, Volume 102Author(s): Niranjan Kumar, Rakesh Srivastava, Amresh Prakash, Andrew M. Lynn (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 15, 2020 Category: Molecular Biology Source Type: research

Theoretical study of boron, beryllium and lithium clusters (n=2–6), adsorption on graphitic carbon nitride and the study of acceptor-donor orbital of the coordination of a styrene molecule on [cluster/g-C3N4] systems
Publication date: January 2021Source: Journal of Molecular Graphics and Modelling, Volume 102Author(s): Marisol Ibarra-Rodríguez, Mario Sánchez (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 15, 2020 Category: Molecular Biology Source Type: research

Physics-driven identification of clinically approved and investigation drugs against human neutrophil serine protease 4 (NSP4): A virtual drug repurposing study
Publication date: December 2020Source: Journal of Molecular Graphics and Modelling, Volume 101Author(s): Jamshaid Ahmad, Saima Ikram, Ahmer Bin Hafeez, Serdar Durdagi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 6, 2020 Category: Molecular Biology Source Type: research

Exploring the Twisted Molecular Configurations for Tuning their Optical and Nonlinear Optical Response Properties: A Quantum Chemical Approach
Publication date: Available online 3 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Shabbir Muhammad, Chin-Hung Lai, Abdullah G. Al-Sehemi, Thamraa Alshahrani, Javed Iqbal, Khurshid Ayub, Mukesh Choudhary (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 5, 2020 Category: Molecular Biology Source Type: research

In silico study for prediction of novel bioactivities of the endophytic fungal alkaloid, mycoleptodiscin B for human targets
Publication date: Available online 3 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Uthpala S. Deshapriya, Senal Dinuka, Pamoda B. Ratnaweera, Chinthaka N. Ratnaweera (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 5, 2020 Category: Molecular Biology Source Type: research

Computational investigation of possible inhibitors of the winged-helix domain of MUS81
Publication date: Available online 2 October 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Son Tung Ngo, Van V. Vu, Huong Thi Thu Phung (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 3, 2020 Category: Molecular Biology Source Type: research

An integrated computational investigation to unveil the structural impacts of mutation on the InhA structural gene of Mycobacterium tuberculosis
Publication date: Available online 30 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Manikandan Jayaraman, Krishna Ramadas (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - October 1, 2020 Category: Molecular Biology Source Type: research

DFT and QTAIM Studies on the Reduction of Carbon Monoxide by Superalkalis
Publication date: Available online 28 September 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Ambrish Kumar Srivastava (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - September 30, 2020 Category: Molecular Biology Source Type: research