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Journal of Molecular Graphics & Modelling|July 29, 2015
Theoretical study on the N-demethylation mechanism of theobromine catalyzed by P450 isoenzyme 1A2Jing Tao, Yuan Kang, Zhiyu Xue, et al.Journal of Molecular Graphics & Modelling|March 9, 2016
iBET: Immersive visualization of biological electron-transfer dynamicsC Masato Nakano, Erick Moen, Hye Suk Byun, et al.Journal of Molecular Graphics & Modelling|March 7, 2016
Theoretical study of chlordecone and surface groups interaction in an activated carbon model under acidic and neutral conditionsJuan José Gamboa-Carballo, Kenia Melchor-Rodríguez, Daniel Hernández-Valdés, et al.Journal of Molecular Graphics & Modelling|April 2, 2016
Using DFT methodology for more reliable predictive models: Design of inhibitors of Golgi α-Mannosidase IIAdela Bobovská, Igor Tvaroška, Juraj KóňaJournal of Molecular Graphics & Modelling|April 5, 2016
Tautomeric transformation of temozolomide, their proton affinities and chemical reactivities: A theoretical approachWichien Sang-Aroon, Vithaya Ruangpornvisuti, Vittaya AmornkitbamrungJournal of Molecular Graphics & Modelling|April 5, 2016
Graphene confinement effects on melting/freezing point and structure and dynamics behavior of waterMasumeh Foroutan, S Mahmood Fatemi, F ShokouhJournal of Molecular Graphics & Modelling|July 21, 2017
Pharmacological relationships and ligand discovery of G protein-coupled receptors revealed by simultaneous ligand and receptor clusteringCheng Zhang, Yi-Ming Shao, Xiaohua Ma, et al.Journal of Molecular Graphics & Modelling|July 23, 2017
Identification of Mycobacterium tuberculosis enoyl-acyl carrier protein reductase inhibitors: A combined in-silico and in-vitro analysisMohsin Y Lone, Mohd Athar, Vivek K Gupta, et al.Journal of Molecular Graphics & Modelling|August 17, 2017
The design of target specific antibodies (scFv) by applying de novo workflow: Case study on BmR1 antigen from Brugia malayiBee Yin Khor, Theam Soon Lim, Rahmah Noordin, et al.Journal of Molecular Graphics & Modelling|August 26, 2017
A theoretical survey of substituent effects on the properties of pnicogen and hydrogen bonds in cationic complexes of PH4+ with substituted benzonitrileSotoodeh Bagheri, Hamid Reza Masoodi, Ali Reza Akrami-MohajeriPageof 400