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The Journal of Physical Chemistry Letters|July 18, 2023
Understanding Molecular Aggregation of Ligand-Protected Atomically-Precise Metal NanoclustersVikas Tiwari, Tarak Karmakar
The Journal of Physical Chemistry Letters|March 25, 2025
Unveiling Interactions of a Peptide-Bound Monolayer-Protected Metal Nanocluster with a Lipid BilayerSoumya Mondal, Tarak Karmakar
Biophysical Chemistry|April 19, 2024
Insights into the mechanism of peptide fibril growth on gold surfaceSoumya Mondal, Tarak Karmakar
Journal of Chemical Information and Modeling|January 8, 2025
Enhanced Sampling Simulations of RNA-Peptide Binding Using Deep Learning Collective VariablesNisha Kumari, Sonam, Tarak Karmakar
The Journal of Chemical Physics|December 5, 2025
Dynamics of gold nanocluster on MgO surface with F-center defect and its implication for CO oxidationVikas Tiwari, Dhananjay, Tarak Karmakar
Physical Chemistry Chemical Physics : PCCP|August 8, 2025
Elucidating the mechanism of substrate encapsulation in supramolecular resorcin[4]arene using enhanced sampling simulationsTanish Tyagi, Anmol, Tarak Karmakar
Organic & Biomolecular Chemistry|June 20, 2023
Expanded triazolophanes: a topological analysis of vesicular assemblyAppa Rao Sapala, Govind P Maurya, Hanuman Singh, et al.
Journal of Chemical Information and Modeling|June 12, 2026
Mentorship Strategies for New Principal Investigators in Computational ChemistryMatheus Ferraz, Tarak Karmakar, Abdurrahman Olğaç
Journal of Chemical Theory and Computation|June 20, 2020
Molecular Mechanism of Gas Solubility in Liquid: Constant Chemical Potential Molecular Dynamics SimulationsNarjes Ansari, Tarak Karmakar, Michele Parrinello
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