Research Group Publications

 
  • M Mandal, A Das And C Mukhopadhyay, Ubiquitin folds via a flip-twist-lock mechanism, Biochimica et Biophysica Acta (BBA)-Proteins and Proteomics., 1868, 140299 (2020), DOI:https://www.sciencedirect.com/science/article/pii/S1570963919301852.
  • R Satija, A Das, S Mühle, J Enderlein And DE Makarov, Kinetics of Loop Closure in Disordered Proteins: Theory vs Simulations vs Experiments, Kinetics of Loop Closure in Disordered Proteins: Theory vs Simulations vs Experiments., 124, 3482 - 3493 (2020), DOI:https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.0c01437.
  • A Das And DE Makarov, Dynamics of Disordered Proteins under Confinement: Memory Effects and Internal Friction, The Journal of Physical Chemistry B., 122, 9049 - 9060 (2018), DOI:https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.8b06112.
  • SM Avdoshenko, A Das, R Satija, GA Papoian And DE Makarov, Theoretical and computational validation of the Kuhn barrier friction mechanism in unfolded proteins, Scientific Reports., 7, 269 (2017), DOI:https://www.nature.com/articles/s41598-017-00287-5.
  • R Satija, A Das And DE Makarov, Transition path times reveal memory effects and anomalous diffusion in the dynamics of protein folding, The Journal of Chemical Physics., 147, 152707 (2017), DOI:https://aip.scitation.org/doi/full/10.1063/1.4993228.
  • A Das And DE Makarov, Effect of Mutation on an Aggregation-Prone Segment of p53: From Monomer to Dimer to Multimer, The Journal of Physical Chemistry B., 120, 11665 - 11673 (2016), DOI:https://pubs.acs.org/doi/abs/10.1021/acs.jpcb.6b07457.
  • S Bhowmick, S Chakraborty, A Das, PR Rajamohanan And N Das, Pyrazine-based organometallic complex: synthesis, characterization, and supramolecular chemistry, Inorganic Chemistry., 54, 2543 - 2550 (2015), DOI:https://pubs.acs.org/doi/abs/10.1021/ic502581x.
  • S Bhowmick, S Chakraborty, A Das, S Nallapeta And N Das, Pyrazine Motif Containing Hexagonal Macrocycles: Synthesis, Characterization, and Host–Guest Chemistry with Nitro Aromatics, Inorganic Chemistry., 54, 8994 - 9001 (2015), DOI:https://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.5b01156.
  • A Das And SS Plotkin, SOD1 exhibits allosteric frustration to facilitate metal binding affinity, Proceedings of the National Academy of Sciences of the United States of America., 110, 3871 - 3876 (2013), DOI:https://www.pnas.org/content/110/10/3871.short.
  • A Das And SS Plotkin, Mechanical probes of SOD1 predict systematic trends in metal and dimer affinity of ALS-associated mutants, Journal of Molecular Biology., 425, 850 - 874 (2013), DOI:https://www.sciencedirect.com/science/article/pii/S0022283612009709.
  • A Das, BK Sin, AR Mohazab And SS Plotkin, Unfolded protein ensembles, folding trajectories, and refolding rate prediction, The Journal of Chemical Physics., 139, 121925 (2013), DOI:https://aip.scitation.org/doi/full/10.1063/1.4817215.
  • A Das And C Mukhopadhyay, Reply to the “Comment on 'Urea-Mediated Protein Denaturation: A Consensus View'”, The Journal of Physical Chemistry B., 115, 1327 - 1328 (2011), DOI:https://pubs.acs.org/doi/10.1021/jp106305w.
  • A Das And C Mukhopadhyay, LpxA: A natural nanotube, Biopolymers., 93, 845 - 853 (2010), DOI:https://onlinelibrary.wiley.com/doi/full/10.1002/bip.21475.
  • A Das And C Mukhopadhyay, Urea-mediated protein denaturation: a consensus view, The Journal of Physical Chemistry B., 113, 12816 - 12824 (2009), DOI:https://pubs.acs.org/doi/abs/10.1021/jp906350s.
  • A Das And C Mukhopadhyay, Mechanical unfolding pathway and origin of mechanical stability of proteins of ubiquitin family: An investigation by steered molecular dynamics simulation, Proteins: Structure, Function, and Bioinformatics., 75, 1024 - 1034 (2009), DOI:https://onlinelibrary.wiley.com/doi/full/10.1002/prot.22314.
  • A Das And C Mukhopadhyay, Atomistic mechanism of protein denaturation by urea, The Journal of Physical Chemistry B., 112, 7903 - 7908 (2008), DOI:https://pubs.acs.org/doi/abs/10.1021/jp800370e.
  • A Das And C Mukhopadhyay, Application of principal component analysis in protein unfolding: An all-atom molecular dynamics simulation study, The Journal of Chemical Physics., 127, 165103 (2007), DOI:https://aip.scitation.org/doi/full/10.1063/1.2796165.