Saikat Pal, Sandip Paul. Phys Chem Chem Phys 2021
Times Cited: 2
Times Cited: 2
Times Cited
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100
PACKMOL: a package for building initial configurations for molecular dynamics simulations.
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Theoretical investigation of conformational deviation of the human parallel telomeric G-quadruplex DNA in the presence of different salt concentrations and temperatures under confinement.
Saikat Pal, Sandip Paul. Phys Chem Chem Phys 2021
Saikat Pal, Sandip Paul. Phys Chem Chem Phys 2021
100
Convergence of Sampling Kirkwood-Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations.
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Distinct and Nonadditive Effects of Urea and Guanidinium Chloride on Peptide Solvation.
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Different Force Fields Give Rise to Different Amyloid Aggregation Pathways in Molecular Dynamics Simulations.
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Potential of ATP toward Prevention of hIAPP Oligomerization and Destabilization of hIAPP Protofibrils: An In Silico Perspective.
Rituparna Roy, Sandip Paul. J Phys Chem B 2021
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PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data.
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Molecular Dynamics Simulations Reveal the Inhibitory Mechanism of Dopamine against Human Islet Amyloid Polypeptide (hIAPP) Aggregation and Its Destabilization Effect on hIAPP Protofibrils.
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Potential of a Natural Deep Eutectic Solvent, Glyceline, in the Thermal Stability of the Trp-Cage Mini-protein.
Saikat Pal, Rituparna Roy, Sandip Paul. J Phys Chem B 2020
Saikat Pal, Rituparna Roy, Sandip Paul. J Phys Chem B 2020
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Molecular mechanism of the inhibition and remodeling of human islet amyloid polypeptide (hIAPP(1-37)) oligomer by resveratrol from molecular dynamics simulation.
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The Inhibitory Effect of Hydroxylated Carbon Nanotubes on the Aggregation of Human Islet Amyloid Polypeptide Revealed by a Combined Computational and Experimental Study.
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Computational insights into the inhibition and destabilization of morin on the oligomer of full-length human islet amyloid polypeptide.
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Targeting Human Islet Amyloid Polypeptide Aggregation and Toxicity in Type 2 Diabetes: An Overview of Peptide-Based Inhibitors.
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