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.

In Silico Methods Predict New Blood-Brain Barrier Permeable Structure for the Inhibition of Kynurenine 3-Monooxygenase
Publication date: Available online 4 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Yılmaz O¨zkılıç, Nurcan Ş. Tu¨zün (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 5, 2020 Category: Molecular Biology Source Type: research

A Cheminformatic Study on Chemical Space Characterization and DiversityAnalysisof 5-LOX Inhibitors
Publication date: Available online 4 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): T.K. Shameera Ahamed, K. Muraleedharan (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 5, 2020 Category: Molecular Biology Source Type: research

The effect of metal alkali cations on the properties of hydrogen bonds in tautomeric forms of adenine – guanine mismatch
Publication date: Available online 2 August 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Mojdeh Rafizadeh Shahi, Sotoodeh Bagheri (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - August 3, 2020 Category: Molecular Biology Source Type: research

Molecular modeling and in vitro study on pyrocatechol as potential pharmacophore of CD151 inhibitor
Publication date: November 2020Source: Journal of Molecular Graphics and Modelling, Volume 100Author(s): Manasa Akella, RamaRao Malla (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 29, 2020 Category: Molecular Biology Source Type: research

Structure-based virtual screening to identify novel carnitine acetyltransferase activators
Publication date: Available online 26 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Rosella Ombrato, Lara Console, Benedetta Righino, Cesare Indiveri, Arduino Arduini, Maria Cristina De Rosa (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 27, 2020 Category: Molecular Biology Source Type: research

Polyacylated anthocyanins constructively network with catalytic dyad residues of 3CLpro of 2019-nCoV than monomeric anthocyanins: A structural-relationship activity study with 10 anthocyanins using in-silico approaches
Publication date: Available online 24 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Ibrahim Khalifa, Asad Nawaz, Remah Sobhy, Sami A. Althawb, Hassan Barakat (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 25, 2020 Category: Molecular Biology Source Type: research

Ontology based conceptual models for predicting fundamental organic reactivity
Publication date: Available online 24 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): K. Umavathy, P. Sankar (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 25, 2020 Category: Molecular Biology Source Type: research

Topological population analysis and pairing/unpairing electron distribution evolution: Atomic B3+ cluster bending mode, a case study
Publication date: Available online 23 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Rosana M. Lobayan, Roberto C. Bochicchio, Carlos Pérez del Valle (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 24, 2020 Category: Molecular Biology Source Type: research

Prioritizing potential ACE2 inhibitors in the COVID-19 pandemic: insights from a molecular mechanics-assisted structure-based virtual screening experiment
Publication date: Available online 23 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Kerem Teralı, Buket Baddal, Hayrettin Ozan Gülcan (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 24, 2020 Category: Molecular Biology Source Type: research

Performance comparison of wavelet neural network and adaptive neuro-fuzzy inference system with small data sets
Publication date: Available online 24 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Reza Tabaraki, Mina Khodabakhshi (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 24, 2020 Category: Molecular Biology Source Type: research

The Interaction Nature between Hollow Silica-based Porous Ionic Liquids and CO2: a DFT Study
Publication date: Available online 22 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Jinrui Zhang, Naixia Lv, Yanhong Chao, Linlin Chen, Wendi Fu, Jie Yin, Hongping Li, Wenshuai Zhu, Huaming Li (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 23, 2020 Category: Molecular Biology Source Type: research

Molecular modeling and in vitro study on pyrocatechol as potential pharmacophore of CD151 inhibitor
Publication date: Available online 22 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Manasa Akella, RamaRao Malla (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 22, 2020 Category: Molecular Biology Source Type: research

The pathways of the CO2 hydrogenation by NiCu/ZnO from DFT Molecular Dynamics simulations
Publication date: Available online 19 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Elżbieta Dziadyk, Janusz Trawczyński, Bartłomiej M. Szyja (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 20, 2020 Category: Molecular Biology Source Type: research

Theoretical Study on the Hydrogen Addition Reactions to Bismaleimide in the Ultra-violet Radiation Cross-linking Process of Polyethylene
Publication date: Available online 19 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Hui Zhang, Chi Deng, Yan Shang, Hong Zhao, Xuan Wang, Baozhong Han, Zesheng Li (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 20, 2020 Category: Molecular Biology Source Type: research

Structure based drug designing and discovery of promising lead molecules against UDP-N-acetylenolpyruvoylglucosamine reductase (MurB): a potential drug target in multi-drug resistant Acinetobacter baumannii
Publication date: Available online 17 July 2020Source: Journal of Molecular Graphics and ModellingAuthor(s): Gizachew Muluneh Amera, Rameez Jabeer Khan, Amita Pathak, Rajat Kumar Jha, Monika Jain, Jayaraman Muthukumaran, Amit Kumar Singh (Source: Journal of Molecular Graphics and Modelling)
Source: Journal of Molecular Graphics and Modelling - July 18, 2020 Category: Molecular Biology Source Type: research