Publications
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Isoxazole-containing 5′ mRNA cap analogues as inhibitors of the translation initiation processBioorganic Chemistry 96, 103583, 2020.
Combining Structural Aggregation Propensity and Stability Predictions To Redesign Protein SolubilityMolecular Pharmaceutics 15, 3846-3859, 2018.
Kinetics and mechanical stability of the fibril state control fibril formation time of polypeptide chains: A computational studyThe Journal of Chemical Physics 148, 215106, 2018.
Synthesis, structural and antimicrobial studies of type II topoisomerase-targeted copper(II) complexes of 1,3-disubstituted thiourea ligandsJournal of Inorganic Biochemistry 182, 61 - 70, 2018.
REFOLDING OF HOMOPOLYMER UNDER QUENCHED FORCEVietnam Journal of Science and Technology 55 (6A), 1-8, 2017.
REFOLDING OF HOMOPOLYMER UNDER QUENCHED FORCEVietnam Journal of Science and Technology 55 (6A), 1-8, 2017.
Switch from thermal to force-driven pathways of protein refoldingThe Journal of Chemical Physics 146, 135101, 2017.
Switch from thermal to force-driven pathways of protein refoldingThe Journal of Chemical Physics 146, 135101, 2017.
Preformed template fluctuations promote fibril formation: Insights from lattice and all-atom modelsThe Journal of Chemical Physics 142, 145104 , 2015.
Connecting thermal and mechanical protein (un)folding landscapesBiophysical Journal 107(12), 2950-61, 2014.
Key Factors Governing Fibril Formation Of Proteins: Insights From Simulations And ExperimentsTask Quarterly 18, 245–254, 2014.
A structure-based model fails to probe the mechanical unfolding pathways of the titin I27 domainThe Journal of Chemical Physics 139, 065103, 2013.
CABS-NMR–De novo tool for rapid global fold determination from chemical shifts, residual dipolar couplings and sparse methyl-methyl NOEsJournal of c\Computational Chemistry 32, 536–44, 2011.
Human telomerase model shows the role of the TEN domain in advancing the double helix for the next polymerization stepProceedings of the National Academy of Sciences of the United States of America 108, 9443–8, 2011.
Universal geometrical factor of protein conformations as a consequence of energy minimizationEPL (Europhysics Letters) 96:68005 doi: 10.1209/0295-5075/96/68005, , 2011.
Mechanical unfolding of acylphosphatase studied by single-molecule force spectroscopy and MD simulationsBiophys J 99, 238-47, 2010.
Relationship between population of the fibril-prone conformation in the monomeric state and oligomer formation times of peptides: Insights from all-atom simulationsThe Journal of Chemical Physics 132, 165104, 2010.
Dependence of protein mechanical unfolding pathways on pulling speedsThe Journal of Chemical Physics 130, 145102, 2009.
Protein mechanical unfolding: Importance of non-native interactionsThe Journal of Chemical Physics 131, 215103, 2009.
Contact prediction in protein modeling: scoring, folding and refinement of coarse-grained modelsBMC Structural Biology 8, 36, 2008.
Inhibition of Fibril Formation of Beta-Amyloid PeptidesFrom Computational Biophysics to Systems Biology (CBSB08) Proceedings 40, 121-124, 2008.
Inhibition of Fibril Formation of Beta-Amyloid PeptidesFrom Computational Biophysics to Systems Biology (CBSB08) Proceedings 40, 121-124, 2008.
New force replica exchange method and protein folding pathways probed by force-clamp techniqueThe Journal of Chemical Physics 128, 045103, 2008.