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Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations
05:57

Synthesizing Amino Acids Modified with Reactive Carbonyls in Silico to Assess Structural Effects Using Molecular Dynamics Simulations

Published on: April 26, 2024

Hybridization-displaced charges for amino-acids: a new model using two point charges per atom along with bond-center

Neha Agnihotri1, P C Mishra

  • 1Department of Physics, Banaras Hindu University, Varanasi, India.

Journal of Molecular Modeling
|September 21, 2010
PubMed

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