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.
Disulfide-stapled design of α-helical bundles to target the trimer-of-hairpins motif of human respiratory syncytial virus fusion protein
Publication date: Available online 13 July 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Xinrong Zhuang, Xuefeng Shen, Wensi Niu, Lingjun Kong (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 14, 2021 Category: Molecular Biology Source Type: research
Ngn (Ng= Ne, Ar, Kr, Xe, and Rn; n=1, 2) encapsulated porphyrin-like porous C24N24 fullerene: A quantum chemical study
Publication date: Available online 11 July 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Hadi Parsa, Ehsan Shakerzadeh, Ernesto Chigo Anota (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 12, 2021 Category: Molecular Biology Source Type: research
Molecular insight on the formation structure and dynamics of melatonin in an aqueous solution and at the Water–Air interface: A molecular dynamics study
Publication date: Available online 6 July 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Aksornnarong Ritwiset, Jessada Khajonrit, Sriprajak Krongsuk, Santi Maensiri (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 7, 2021 Category: Molecular Biology Source Type: research
Multifunctional inhibitors of SARS-CoV-2 by MM/PBSA, essential dynamics, and molecular dynamic investigations
Publication date: September 2021Source: Journal of Molecular Graphics and Modelling, Volume 107Author(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 - July 6, 2021 Category: Molecular Biology Source Type: research
Computational evidence of new putative allosteric sites in the acetylcholinesterase receptor
Publication date: Available online 2 July 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Behnaz Moghadam, Mitra Ashouri, Hossein Roohi, Mohammad Hosein Karimi-jafari (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 3, 2021 Category: Molecular Biology Source Type: research
Exploring the conformational space of a receptor for drug design: An ERα case study
Publication date: Available online 29 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Melanie Schneider, Jean-Luc Pons, Gilles Labesse (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 1, 2021 Category: Molecular Biology Source Type: research
A comparative density functional theory study of oxygen doping versus adsorption on graphene to tune its band gap
Publication date: Available online 30 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Akhtar Hussain, A. Basit (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 1, 2021 Category: Molecular Biology Source Type: research
Crack pathway analysis in graphene-like BC3 nanosheets: Towards a deeper understanding
Publication date: Available online 29 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Ali Dadrasi, Sasan Fooladpanjeh, Kasra Einalipour Eshkalak, Sadegh Sadeghzadeh, Mohammad Reza Saeb (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 29, 2021 Category: Molecular Biology Source Type: research
Tuning the Optoelectronic Properties of Superalkali Doped Phosphorene
Publication date: Available online 26 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Ayesha Hanif, Rida Kiran, Rasheed Ahmad Khera, Ayesha Ayoub, Khurshid Ayub, Javed Iqbal (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 27, 2021 Category: Molecular Biology Source Type: research
A molecular model to study FosA enzyme inhibition
Publication date: Available online 26 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Luiz P.C. Josino, Cláudio Nahum Alves, Anderson H. Lima (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 27, 2021 Category: Molecular Biology Source Type: research
New insight into the mechanism of carbon dioxide activation on copper-based catalysts: A theoretical study
Publication date: Available online 26 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Nguyen Ngoc Ha, Nguyen Thi Thu Ha, Le Minh Cam (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 27, 2021 Category: Molecular Biology Source Type: research
Thermal conductivity of random polycrystalline BC3 nanosheets: A step towards realistic simulation of 2D structures
Publication date: Available online 25 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Sasan Fooladpanjeh, Farrokh Yousefi, Fatemeh Molaei, Maryam Zarghami Dehaghani, S. Mohammad Sajadi, Otman Abida, Sajjad Habibzadeh, Amin Hamed Mashhadzadeh, Mohammad Reza Saeb (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 26, 2021 Category: Molecular Biology Source Type: research
Validation of potential energy distribution by VEDA in vibrational assignment some of β-diketones; comparison of theoretical predictions and experimental vibration shifts upon deutration
Publication date: Available online 24 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Vahidreza Darugar, Mohammad Vakili, Sayyed Faramarz Tayyari, Fadhil S. Kamounah (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 25, 2021 Category: Molecular Biology Source Type: research
Zipper phosphorene as sensing element towards formaldehyde and acetaldehyde – a first-principles insight
Publication date: Available online 24 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): S. Saravanan, V. Nagarajan, R. Chandiramouli (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 25, 2021 Category: Molecular Biology Source Type: research
Second-order NLO properties and two-state switching effects of transition metal redox complexes of iron and cobalt: A DFT study
Publication date: Available online 25 June 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Tamseela Bibi, Tabish Jadoon, Shabbir Muhammad, Khurshid Ayub (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - June 25, 2021 Category: Molecular Biology Source Type: research