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Journal of Molecular Graphics & Modelling|December 13, 2016
Meshing molecular surfaces based on analytical implicit representationChaoyu Quan, Benjamin StammJournal of Molecular Graphics & Modelling|October 23, 2016
Computational modelling and protein-ligand interaction studies of SMlipA lipase cloned from forest metagenomeMahejibin Khan, Amit KumarJournal of Molecular Graphics & Modelling|October 23, 2016
Computational insights into the protonation states of catalytic dyad in BACE1-acyl guanidine based inhibitor complexAbdulkadir Kocak, Ismail Erol, Muslum Yildiz, et al.Journal of Molecular Graphics & Modelling|October 11, 2016
Molecular simulations of lactose-bound and unbound forms of the FaeG adhesin reveal critical amino acids involved in sugar bindingJoseph L Baker, Heba JafriJournal of Molecular Graphics & Modelling|October 11, 2016
Effect of allosteric molecules on structure and drug affinity of HIV-1 protease by molecular dynamics simulationsXian-Mei Meng, Wei-Jun Hu, Yu-Guang Mu, et al.Journal of Molecular Graphics & Modelling|April 3, 2017
iMOLSDOCK: Induced-fit docking using mutually orthogonal Latin squares (MOLS)D Sam Paul, N GauthamJournal of Molecular Graphics & Modelling|January 30, 2014
Identification of p38α MAP kinase inhibitors by pharmacophore based virtual screeningRahul P Gangwal, Nihar R Das, Kaushik Thanki, et al.Journal of Molecular Graphics & Modelling|September 28, 2016
pH-controlled doxorubicin anticancer loading and release from carbon nanotube noncovalently modified by chitosan: MD simulationsChompoonut Rungnim, Thanyada Rungrotmongkol, Rungtiva P Poo-ArpornJournal of Molecular Graphics & Modelling|December 26, 2016
ISO-MANM: An imitation based optimization tool for multilayer microwave absorbersA Cheraghi, R Malekfar, S Moemen Bellah, et al.Journal of Molecular Graphics & Modelling|March 23, 2017
The enhancing effect of a cation-π interaction on the cooperativity of halogen bonds: A computational studyMehdi D Esrafili, Soheila AsadollahiPageof 408