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Journal of Molecular Graphics & Modelling|July 27, 2019
Thermodynamic of solvation, solute - Solvent electron transfer and ionization potential of BSCAPE molecule and its UV-vis spectra in aqueous solutionOlivier Holtomo, Mama Nsangou, Jean Jules Fifen, et al.Journal of Molecular Graphics & Modelling|July 16, 2019
Theoretical investigation on the interaction of benzazaborole derivatives with iodide ion: Structural, binding and fluorescence properties analysisZhiyan Ma, Weifang Han, Chunhua Ge, et al.Journal of Molecular Graphics & Modelling|January 23, 2017
Computational analysis of Amsacrine resistance in human topoisomerase II alpha mutants (R487K and E571K) using homology modeling, docking and all-atom molecular dynamics simulation in explicit solventSafaa Sader, Chun WuJournal of Molecular Graphics & Modelling|January 17, 2017
TRPV1 antagonism by piperazinyl-aryl compounds: A Topomer-CoMFA study and its use in virtual screening for identification of novel antagonistsRajendra Kristam, Shashidhar N Rao, Anne Sudha D'Cruz, et al.Journal of Molecular Graphics & Modelling|June 17, 2008
Fingerprint-based clustering applied to define a QSAR model use radiusD G SprousJournal of Molecular Graphics & Modelling|May 6, 2008
Computational modeling of an ion-driven nanomotorA Lohrasebi, H Rafii-TabarJournal of Molecular Graphics & Modelling|March 11, 2017
Binding affinity of pro-apoptotic BH3 peptides for the anti-apoptotic Mcl-1 and A1 proteins: Molecular dynamics simulations of Mcl-1 and A1 in complex with six different BH3 peptidesVivek Modi, Ramasubbu SankararamakrishnanJournal of Molecular Graphics & Modelling|March 17, 2017
Identification of a potential proton donor to the linking oxygen atom in a three-metal ion assisted catalysis pathway catalyzed by Fructose-1, 6-bisphosphataseJinhu Wang, Zhiguo Wang, Baoping Ling, et al.Journal of Molecular Graphics & Modelling|February 28, 2021
Proposal of novel potent inhibitors against androgen receptor based on ab initio molecular orbital calculationsShunya Nakamura, Ryosuke Saito, Shohei Yamamoto, et al.Journal of Molecular Graphics & Modelling|February 28, 2021
Acute phase α1-acid glycoprotein as a siderophore-capturing component of the human plasma: A molecular modeling studySergey A Samsonov, Ferenc Zsila, Martyna Maszota-ZieleniakPageof 400