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Journal of Molecular Graphics & Modelling|October 2, 2013
Bioisosteric approach in designing new monastrol derivatives: an investigation on their ADMET prediction using in silico derived parametersSyed Fahad Hassan, Umer Rashid, Farzana Latif Ansari, et al.Journal of Molecular Graphics & Modelling|July 23, 2013
Similarity-based virtual screening for microtubule stabilizers reveals novel antimitotic scaffoldAhmed T Ayoub, Mariusz Klobukowski, Jack TuszynskiJournal of Molecular Graphics & Modelling|December 2, 2014
Long-timescale motions in glycerol-monopalmitate lipid bilayers investigated using molecular dynamics simulationMonika Laner, Bruno A C Horta, Philippe H HünenbergerJournal of Molecular Graphics & Modelling|March 2, 2016
Development of an accurate molecular mechanics model for buckling behavior of multi-walled carbon nanotubes under axial compressionB Safaei, P Naseradinmousavi, A RahmaniJournal of Molecular Graphics & Modelling|December 1, 2015
Prediction of binding modes and affinities of 4-substituted-2,3,5,6-tetrafluorobenzenesulfonamide inhibitors to the carbonic anhydrase receptor by docking and ONIOM calculationsPabitra Narayan Samanta, Kalyan Kumar DasJournal of Molecular Graphics & Modelling|December 15, 2015
Coarse-grained bond and angle distributions from atomistic simulations: On the systematic parameterisation of lipid modelsSamuel GenhedenJournal of Molecular Graphics & Modelling|December 15, 2015
Numeric promoter description - A comparative view on concepts and general applicationRico Beier, Dirk LabuddeJournal of Molecular Graphics & Modelling|November 10, 2015
Case-specific performance of MM-PBSA, MM-GBSA, and SIE in virtual screeningSalla I Virtanen, Sanna P Niinivehmas, Olli T PentikäinenJournal of Molecular Graphics & Modelling|November 7, 2015
A ligand-entry surface of the nuclear receptor superfamily consists of the helix H3 of the ligand-binding domainMotonori TsujiJournal of Molecular Graphics & Modelling|November 8, 2015
In silico and experimental validation of protein-protein interactions between PknI and Rv2159c from Mycobacterium tuberculosisArunkumar Venkatesan, Sameer Hassan, Kannan Palaniyandi, et al.Pageof 400