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.

Silver cluster (Ag6) decorated coronene as non-enzymatic sensor for glucose and H2O2
Publication date: Available online 11 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Tabish Jadoon, Tariq Mahmood, Khurshid Ayub (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 13, 2020 Category: Molecular Biology Source Type: research

Identification of potent Antigen 85C inhibitors of Mycobacterium tuberculosis via in-house lichen library and binding free energy studies Part-II
Publication date: Available online 8 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Ragini Pant, Amit Joshi, Tanuja Joshi, Priyanka Maiti, Mahesha Nand, Tushar Joshi, Veena Pande, Subhash Chandra (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 9, 2020 Category: Molecular Biology Source Type: research

Antiprotozoal QSAR modelling for trypanosomiasis (Chagas disease) based on thiosemicarbazone and thiazole derivatives
Publication date: Available online 7 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Diana L. Nossa González, Jovanny A. Gómez Castaño, Wilson E. Rozo Núñez, Pablo R. Duchowicz (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 7, 2020 Category: Molecular Biology Source Type: research

Exploring the mechanism of the potent allosteric inhibitor compound2 on SHP2 WT and SHP2F285S by molecular dynamics study
Publication date: Available online 3 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Liang Zhou, Yong Feng, Yang-Chun Ma, Zhao Zhang, Jing-Wei Wu, Shan Du, Wei-Ya Li, Xin-Hua Lu, Ying Ma, Run-Ling Wang (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 4, 2020 Category: Molecular Biology Source Type: research

Effect of nelfinavir stereoisomers on coronavirus main protease: molecular docking, molecular dynamics simulation and MM/GBSA study
Publication date: Available online 4 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Mohsen Sargolzaei (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 4, 2020 Category: Molecular Biology Source Type: research

Proton transfer from water to aromatic N-heterocyclic anions from DFT-MD simulations
Publication date: Available online 3 December 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Adyasa Priyadarsini, Bhabani S. Mallik (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - December 3, 2020 Category: Molecular Biology Source Type: research

Solving the α-Helix Correspondence Problem at Medium-Resolution Cryo-EM Maps through Modeling and 3D Matching
Publication date: Available online 28 November 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Bahareh Behkamal, Mahmoud Naghibzadeh, Andrea Pagnani, Mohammad Reza Saberi, Kamal Al Nasr (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - November 30, 2020 Category: Molecular Biology Source Type: research

Temperature Dependent Aggregation Mechanism and Pathway of Lysozyme: By All Atom and Coarse Grained Molecular Dynamics Simulation
Publication date: Available online 27 November 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Shahee Islam, Zarrin Shahzadi, Chaitali Mukhopadhyay (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - November 28, 2020 Category: Molecular Biology Source Type: research

Vienna Soil Organic Matter Modeler 2 (VSOMM2)
Publication date: Available online 26 November 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Yerko Escalona, Drazen Petrov, Chris Oostenbrink (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - November 28, 2020 Category: Molecular Biology Source Type: research

Editorial Board
Publication date: January 2021Source: Journal of Molecular Graphics and Modelling, Volume 102Author(s): (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - November 26, 2020 Category: Molecular Biology Source Type: research

Corrigendum to ‘Estimation of the ligand-binding free energy of checkpoint kinase 1 via non-equilibrium MD simulations’
Publication date: March 2021Source: Journal of Molecular Graphics and Modelling, Volume 103Author(s): Nguyen Thi Mai, Ngo Thi Lan, Thien Y Vu, Phuong Thi Mai Duong, Nguyen Thanh Tung, Huong Thi Thu Phung (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - November 25, 2020 Category: Molecular Biology Source Type: research

Computational modeling and Small-angle X-ray scattering based structure analysis and identifying ligand cleavage mechanism by processive endocellulase of family 9 glycoside hydrolase (HtGH9) from Hungateiclostridium thermocellum ATCC 27405
Publication date: Available online 17 November 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Krishan Kumar, Shubha Singh, Kedar Sharma, Arun Goyal (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - November 18, 2020 Category: Molecular Biology Source Type: research

Selective adsorption of CO2 from gas mixture by P-decorated C24N24 fullerene assisted by an electric field: A DFT approach
Publication date: Available online 17 November 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Adnan Ali Khan, Rashid Ahmad, Iftikhar Ahmad, Xintai Su (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - November 18, 2020 Category: Molecular Biology Source Type: research

In silico Exploration of Binding of Selected Bisphosphonate Derivatives to Placental Alkaline Phosphate via Docking and Molecular Dynamics
Publication date: Available online 16 November 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Rafal Madaj, Roza Pawlowska, Arkadiusz Chworos (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - November 17, 2020 Category: Molecular Biology Source Type: research

Prediction of CD28-CD86 protein complex structure using different level of resolution approach
Publication date: Available online 16 November 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Paweł Krupa, Marta Spodzieja, Adam K. Sieradzan (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - November 17, 2020 Category: Molecular Biology Source Type: research