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Results 1-10 of 31 (Search time: 0.004 seconds).
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Issue DateTitleAuthor(s)
2003-03-28Ab initio Folding Simulation of the Trp-cage Mini-protein Approaches NMR ResolutionChowdhury, Shibasish
2017-01-15Synthesis, evaluation and molecular modelling studies of 2-(carbazol-3-yl)-2-oxoacetamide analogues as a new class of potential pancreatic lipase inhibitorsKumar, Dalip; Paul, Atish T.
2012-12Molecular Determinants for Ligand Binding at Serotonin 5-HT2A and 5-HT2C GPCRs: Experimental Affinity Results Analyzed by Molecular Modeling and Ligand Docking StudiesSakhuja, Rajeev
2016-08Microscopic molecular dynamics characterization of the second-order non-Navier-Fourier constitutive laws in the Poiseuille gas flowRana, Anirudh
2023-05Bypassing traditional molecular dynamics with artificial neural networksAneesh, A.M.
2023-05Atomistic analysis of the effect of cholesterol on cancerous membrane protein system: unfolding and associated resistance stresses under strainRao, Venkatesh K.P.; Belgamwar, Sachin U.
2023-06Thermo-physical characteristics of 3C‐SiC structure subjected to microwave exposure: A molecular dynamics studyMishra, Radha Raman; Belgamwar, Sachin U.; Roy, Tribeni
2013Fluorescence and Piezoresistive Cantilever Sensing of Trinitrotoluene by an Upper-Rim Tetrabenzimidazole Conjugate of Calix[4]arene and Delineation of the Features of the Complex by Molecular DynamicsRao, V. Ramgopal
2022-03Atomistic approach to analyse transportation of water nanodroplet through a vibrating nanochannel: scope in bio-NEMS applicationsBelgamwar, Sachin U.; Rao, Venkatesh K.P.
2022-02Comparative analysis of mechanical properties for mono and poly-crystalline copper under nanoindentation – Insights from molecular dynamics simulationsRoy, Tribeni

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