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Dalton Transactions (Cambridge, England : 2003)|January 31, 2013
Neutral tricoordinated beryllium(0) compounds--isostructural to BH(3) but isoelectronic to NH(3)Susmita De, Pattiyil Parameswaran
RSC Advances|August 3, 2022
Cation-π and hydrophobic interaction controlled PET recognition in double mutated cutinase - identification of a novel binding subsite for better catalytic activityAnjima James, Susmita De
The Journal of Physical Chemistry. B|December 29, 2020
Dual-Site Binding of Quaternary Ammonium Ions as Internal K+-Ion Channel Blockers: Nonclassical (C-H···O) H Bonding vs Dispersive (C-H···H-C) InteractionRinsha Cholasseri, Susmita De
Physical Chemistry Chemical Physics : PCCP|July 8, 2024
Deciphering the shape selective conformational equilibrium of E- and Z-locked azobenzene-tetraethylammonium ion in regulating photo-switchable K+-ion channel blockingRinsha Cholasseri, Susmita De
Physical Chemistry Chemical Physics : PCCP|February 10, 2026
Photoswitches for ion channel regulation: expanding the scope of phototherapy through computational chemistryRinsha Cholasseri, Susmita De
The Journal of Physical Chemistry. B|November 27, 2023
Be2+ Causes Hypersensitivity but Mg2+ and Ca2+ Do Not─Favorable Metal Coordination Is the Key for Differential Allosteric Modulation and Binding AffinitiesGopika Sabu, Susmita De
Journal of Computational Chemistry|July 23, 2025
Ring Size Dependent Lactam-Lactim Tautomeric Equilibrium in Imidazolin-2-Chalcogenones and Pyrimidin-2-Chalcogenones: A Role of AromaticityLinta Mary Jose, Susmita De
Chembiochem : a European Journal of Chemical Biology|August 16, 2024
Bridging the Gap in the Structure-Function Paradigm of Enzymatic PET Degradation-Aromatic Residue Driven Balanced Interactions with Catalytic and Anchoring SubsiteAnjima James, Anjitha Bhasi, Susmita De
Dalton Transactions (Cambridge, England : 2003)|August 3, 2013
Ring contraction of six-membered metallabenzynes to five-membered metal-carbene complexes: a comparison with organic analoguesChakkittakandiyil Anusha, Susmita De, Pattiyil Parameswaran
Dalton Transactions (Cambridge, England : 2003)|October 5, 2017
Ring contraction of metallabenzooxirene to metal carbonyl complexes - a comparative study with the Wolff rearrangement of oxirene and benzooxireneChakkittakandiyil Anusha, Susmita De, Pattiyil Parameswaran
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