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.

Sequence similarity in 3D for comparison of protein families
Publication date: Available online 23 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Igor Lima, Elio A. Cino (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 24, 2021 Category: Molecular Biology Source Type: research

Predicting aqueous solubility by QSPR modeling
Publication date: Available online 22 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Nastaran Meftahi, Michael L. Walker, Brian J. Smith (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 23, 2021 Category: Molecular Biology Source Type: research

Investigation of radezolid interaction with non-canonical chloramphenicol binding site by molecular dynamics simulations
Publication date: Available online 21 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): G.I. Makarov, R.V. Reshetnikova (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 23, 2021 Category: Molecular Biology Source Type: research

Fracture fingerprint of polycrystalline C3N nanosheets: Theoretical basis
Publication date: Available online 21 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Babak Bagheri, Maryam Zarghami Dehaghani, Mohammad Esmaeili Safa, Payam Zarrintaj, Amin Hamed Mashhadzadeh, Mohammad Reza Ganjali, Mohammad Reza Saeb (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 23, 2021 Category: Molecular Biology Source Type: research

Rutin and flavone analogs as prospective SARS-CoV-2 main protease inhibitors: In silico drug discovery study
Publication date: Available online 20 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Mahmoud A.A. Ibrahim, Eslam A.R. Mohamed, Alaa H.M. Abdelrahman, Khaled S. Allemailem, Mahmoud F. Moustafa, Ahmed M. Shawky, Ali Mahzari, Abdulrahim Refdan Hakami, Khlood A.A. Abdeljawaad, Mohamed A.M. Atia (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 21, 2021 Category: Molecular Biology Source Type: research

Virtual screening-based identification of novel fatty acid synthase inhibitor and evaluation of its antiproliferative activity in breast cancer cells
Publication date: Available online 20 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Amrutha Nisthul A, Archana PR, Ruby John Anto, C. Sadasivan (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 21, 2021 Category: Molecular Biology Source Type: research

Theoretical investigation of the atmospheric implications for the reaction of ●OH radicals with CF2=C(CH3)-CX3, X=(H,F)
Publication date: Available online 19 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Olivier Holtomo, Hubert Ngue’zeo, Mama Nsangou, Ousmanou Motapon (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 20, 2021 Category: Molecular Biology Source Type: research

Interaction studies of glycine, acetate and methylamine on β-tellurene nanoribbon – A first-principles analysis
Publication date: June 2021Source: Journal of Molecular Graphics and Modelling, Volume 105Author(s): V. Nagarajan, R. Chandiramouli (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 20, 2021 Category: Molecular Biology Source Type: research

Exploring the bioactivity of pentacyclic triterpenoids as potential antimycobacterial nutraceutics: insights through comparative biomolecular modelling
Publication date: Available online 16 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Gideon F. Tolufashe, Monsurat M. Lawal, Krishna K. Govender, Francis O. Shode, Thishana Singh (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 17, 2021 Category: Molecular Biology Source Type: research

Relating Molecular Descriptors to Frontier Orbital Energy Levels, Singlet and Triplet Excited States of Fused Tricyclics using Machine Learning
Publication date: Available online 13 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Kai Lin Woon, Zhao Xian Chong, Azhar Ariffin, Chee Seng Chan (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 14, 2021 Category: Molecular Biology Source Type: research

Interaction studies of glycine, acetate and methylamine on β-tellurene nanoribbon - a first-principles analysis
Publication date: Available online 11 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): V. Nagarajan, R. Chandiramouli (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 12, 2021 Category: Molecular Biology Source Type: research

Scaffold-based Analysis of Nonpeptide Oncogenic FTase Inhibitors using Multiple Similarity Matching, Binding Affinity Scoring and Enzyme Inhibition Assay
Publication date: Available online 12 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Qifei Wang, Fei Chen, Peng Liu, Yushu Mu, Shibin Sun, Xulong Yuan, Pan Shang, Bo Ji (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 12, 2021 Category: Molecular Biology Source Type: research

Destabilization of the Alzheimer’s Amyloid-β Protofibrils by THC: A Molecular Dynamics Simulation study
Publication date: Available online 9 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Pavan Krishna Kanchi, Ashok Kumar Dasmahapatra (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 10, 2021 Category: Molecular Biology Source Type: research

Enhancing the stability of Geobacillus zalihae T1 lipase in organic solvents and insights into the structural stability of its variants
Publication date: Available online 10 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Jonathan Maiangwa, Siti Hajar Hamdan, Mohd Shukuri Mohamad Ali, Abu Bakar Salleh, Raja Noor Zaliha Raja Abd Rahman, Fairolniza Mohd Shariff, Thean Chor Leow (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 10, 2021 Category: Molecular Biology Source Type: research

Understanding the Effect of the MFI Framework on the Mechanism and Kinetics of direct CH3COOH formation from the Co-activation of CO2 and CH4
Publication date: Available online 8 March 2021Source: Journal of Molecular Graphics and ModellingAuthor(s): Nasir Shahzad, Basharat Khan (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - March 9, 2021 Category: Molecular Biology Source Type: research