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Lista de obras de Kakali Sen

A QM/MM Study of Nitrite Binding Modes in a Three-Domain Heme-Cu Nitrite Reductase

artículo científico publicado en 2018

A microiterative intrinsic reaction coordinate method for large QM/MM systems

artículo científico publicado en 2013

Active-site protein dynamics and solvent accessibility in native Achromobacter cycloclastes copper nitrite reductase

artículo científico publicado en 2017

Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent

artículo científico publicado en 2017

Distinguishing Nitro vs Nitrito Coordination in Cytochrome c' Using Vibrational Spectroscopy and Density Functional Theory

artículo científico publicado en 2017

Electronic structure of fullerene-squaraine complexes for photovoltaic devices

Enzyme catalysis captured using multiple structures from one crystal at varying temperatures.

artículo científico publicado en 2018

Excited-State Proton Transfer Can Tune the Color of Protein Fluorescent Markers.

artículo científico publicado en 2015

Interfacial States in Donor-Acceptor Organic Heterojunctions: Computational Insights into Thiophene-Oligomer/Fullerene Junctions

artículo científico publicado en 2012

Molecular oxygen activation and proton transfer mechanisms in lanosterol 14alpha-demethylase catalysis.

artículo científico publicado en 2009

Quantum Mechanics/Molecular Mechanics Insights into the Enantioselectivity of the O-Acetylation of (R,S)-Propranolol Catalyzed by Candida antarctica Lipase B

scholarly article by Andrés M. Escorcia et al published 30 November 2016 in ACS Catalysis

Role of Two Alternate Water Networks in Compound I Formation in P450eryF