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Journal of Molecular Graphics & Modelling|March 1, 2021
Structure-based mimicking of hydroxylated biphenyl congeners (OHPCBs) for human transthyretin, an important enzyme of thyroid hormone systemReena Kumari, Poonam Dhankhar, Vikram DalalJournal of Molecular Graphics & Modelling|November 14, 2021
Valence non-Lewis density as an approach to describe and measure aromaticity of organic and inorganic moleculesMohammad Manassir, Ali H PakiariJournal of Molecular Graphics & Modelling|October 27, 2012
Prediction of ligand binding site by insilico approach in cold resistant protein isolated from cold resistant mutant of Pseudomonas fluorescensAmit Kumar, Mahejibin KhanJournal of Molecular Graphics & Modelling|November 13, 2012
Binding of single walled carbon nanotube to WT and mutant HIV-1 proteases: analysis of flap dynamics and binding mechanismBiswa Ranjan Meher, Yixuan WangJournal of Molecular Graphics & Modelling|November 3, 2012
Triangulated manifold meshing method preserving molecular surface topologyMinxin Chen, Bin Tu, Benzhuo LuJournal of Molecular Graphics & Modelling|January 29, 2014
Quantum mechanical investigations on the role of C-terminal residue in influencing the structural features of dipeptides containing N-terminal prolineGunajyoti Das, Shilpi MandalJournal of Molecular Graphics & Modelling|January 29, 2014
Fletcher-Reeves based Particle Swarm Optimization for prediction of molecular structureShikha Agrawal, Sanjay SilakariJournal of Molecular Graphics & Modelling|October 23, 2012
Solvent effect on halogen bonding: the case of the I⋯O interactionAlessandra Forni, Stefano Rendine, Stefano Pieraccini, et al.Journal of Molecular Graphics & Modelling|October 23, 2012
Investigation of a predicted N-terminal amphipathic α-helix using atomistic molecular dynamics simulation of a complete prototype poliovirus virionJason A Roberts, Michael J Kuiper, Bruce R Thorley, et al.Journal of Molecular Graphics & Modelling|October 23, 2012
Molecular dynamics simulation of the interaction between protein tyrosine phosphatase 1B and aryl diketoacid derivativesQiang Wang, Jun Gao, Yongjun Liu, et al.Pageof 400