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Journal of Molecular Graphics & Modelling|September 20, 2019
Exploring calcium ion-dependent effect on the intermolecular interaction between human secreted phospholipase A2 and its peptide inhibitors in coronary artery diseaseGuanggan Bo, Fang Cao, Min Li, et al.Journal of Molecular Graphics & Modelling|September 24, 2019
Docking structurally similar analogues: Dealing with the false-positiveZahara Khanjiwala, Anubha Khale, Arati PrabhuJournal of Molecular Graphics & Modelling|August 19, 2019
First principles investigation on elastic, optoelectronic and thermoelectric properties of KYX (X = Ge, Sn and Pb) half-heusler compoundsMosayeb Naseri, D M HoatJournal of Molecular Graphics & Modelling|August 21, 2019
Electronic structure and optical properties of TaNO: An ab initio studyMuhammad Irfan, Muhammad Arshad Kamran, Sikander Azam, et al.Journal of Molecular Graphics & Modelling|August 20, 2019
1, 3-Dipolar cycloaddition reactions of selected 1,3-dipoles with 7-isopropylidenenorbornadiene and follow-up thermolytic cleavage: A computational studyGrace Arhin, Anita Houston Adams, Ernest Opoku, et al.Journal of Molecular Graphics & Modelling|October 4, 2019
Polyproline chains destabilize the Alzheimer's amyloid-β protofibrils: A molecular dynamics simulation studyPavan Krishna Kanchi, Ashok Kumar DasmahapatraJournal of Molecular Graphics & Modelling|February 20, 2019
Photo-tunable linear and nonlinear optical response of cyclophanediene-dihydropyrene photoswitchesBibi Saima, Nasir Khan, Yasair S S Al-Faiyz, et al.Journal of Molecular Graphics & Modelling|November 17, 2018
Torsional flexibility of undecorated catechol diether compound as potent NNRTI targeting HIV-1 reverse transcriptaseTuanjai Somboon, Patchreenart Saparpakorn, Supa HannongbuaJournal of Molecular Graphics & Modelling|February 18, 2019
α-methylation and α-fluorination electronic effects on the regioselectivity of carbonyl groups of uracil by H and triel bonds in the interaction of U, T and 5FU with HCl and TrH3 (Tr = B, Al)Aristote Matondo, Renjith Thomas, Philippe Vuka Tsalu, et al.Journal of Molecular Graphics & Modelling|February 15, 2021
A computational study of N2 adsorption on aromatic metal Mg16M;(M=Be, Mg, and Ca) nanoclustersMahmood Reza Dehghan, Sara Ahmadi, Zahrabatoul Mosapour Kotena, et al.Pageof 408