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Journal of Molecular Graphics & Modelling|March 28, 2025
Experimental and computational analysis of benzothiophene as a selective inhibitors of diabetes mellitusShoaib Khan, Mujaddad Ur Rehman, Tayyiaba Iqbal, et al.Journal of Molecular Graphics & Modelling|March 24, 2025
Exploring the catalytic performance of ligand-functionalized Cu-BTC paddlewheels in carboxylative cyclization of propargyl alcohol with CO2: DFT and SISSO insightsJakkapan SirijaraensreJournal of Molecular Graphics & Modelling|July 28, 2014
Reaction analysis and visualization of ReaxFF molecular dynamics simulationsJian Liu, Xiaoxia Li, Li Guo, et al.Journal of Molecular Graphics & Modelling|December 4, 2013
Efficient prediction of protein conformational pathways based on the hybrid elastic network modelSangjae Seo, Yunho Jang, Pengfei Qian, et al.Journal of Molecular Graphics & Modelling|September 7, 2013
Studies on argon collisions with smooth and rough tungsten surfacesM S Ozhgibesov, T S Leu, C H Cheng, et al.Journal of Molecular Graphics & Modelling|July 16, 2014
Development of a receptor model for efficient in silico screening of HIV-1 integrase inhibitorsMario A Quevedo, Sergio R Ribone, Margarita C Briñón, et al.Journal of Molecular Graphics & Modelling|July 16, 2014
The conformational behavior, geometry and energy parameters of Menshutkin-like reaction of O-isopropylidene-protected glycofuranoid mesylates in view of DFT calculationsAndrzej Nowacki, Justyna Wielińska, Dominik Walczak, et al.Journal of Molecular Graphics & Modelling|December 10, 2013
Identification of novel inhibitors against Mycobacterium tuberculosis L-alanine dehydrogenase (MTB-AlaDH) through structure-based virtual screeningShalini Saxena, Parthiban Brindha Devi, Vijay Soni, et al.Journal of Molecular Graphics & Modelling|January 24, 2013
The role of loop closure propensity in the refolding of Rop protein probed by molecular dynamics simulationsRashmi Tambe Shukla, Chetana Baliga, Yellamraju U SasidharJournal of Molecular Graphics & Modelling|May 18, 2013
Effects of amine organic groups as lattice in ZSM-5 on the hydrolysis of dimethyl etherJittima Meeprasert, Siriporn Jungsuttiwong, Thanh N Truong, et al.Pageof 400