Follow
Divya Nayar
Title
Cited by
Cited by
Year
The hydrophobic effect and the role of cosolvents
NFA van der Vegt, D Nayar
The Journal of Physical Chemistry B 121 (43), 9986-9998, 2017
1022017
Water and water-like liquids: Relationships between structure, entropy and mobility
D Nayar, C Chakravarty
Physical Chemistry Chemical Physics 15 (34), 14162-14177, 2013
782013
Convergence of Kirkwood–Buff integrals of ideal and nonideal aqueous solutions using molecular dynamics simulations
J Milzetti, D Nayar, NFA van der Vegt
The Journal of Physical Chemistry B 122 (21), 5515-5526, 2018
762018
Water and other tetrahedral liquids: Order, anomalies and solvation
BS Jabes, D Nayar, D Dhabal, V Molinero, C Chakravarty
Journal of Physics: Condensed Matter 24 (28), 284116, 2012
602012
Comparison of tetrahedral order, liquid state anomalies, and hydration behavior of mTIP3P and TIP4P water models
D Nayar, M Agarwal, C Chakravarty
Journal of chemical theory and computation 7 (10), 3354-3367, 2011
562011
Molecular origin of urea driven hydrophobic polymer collapse and unfolding depending on side chain chemistry
D Nayar, A Folberth, NFA van der Vegt
Physical Chemistry Chemical Physics 19 (28), 18156-18161, 2017
392017
Cosolvent effects on polymer hydration drive hydrophobic collapse
D Nayar, NFA van der Vegt
The Journal of Physical Chemistry B 122 (13), 3587-3595, 2018
322018
Sensitivity of local hydration behaviour and conformational preferences of peptides to choice of water model
D Nayar, C Chakravarty
Physical Chemistry Chemical Physics 16 (21), 10199-10213, 2014
252014
Intrinsic conformational preferences and interactions in α-synuclein fibrils: insights from molecular dynamics simulations
IM Ilie, D Nayar, WK Den Otter, NFA Van Der Vegt, WJ Briels
Journal of chemical theory and computation 14 (6), 3298-3310, 2018
242018
Comparison of hydration behavior and conformational preferences of the Trp-cage mini-protein in different rigid-body water models
M Gupta, D Nayar, C Chakravarty, S Bandyopadhyay
Physical Chemistry Chemical Physics 18 (48), 32796-32813, 2016
202016
An interplay of excluded-volume and polymer–(co)solvent attractive interactions regulates polymer collapse in mixed solvents
S Bharadwaj, D Nayar, C Dalgicdir, NFA van der Vegt
The Journal of Chemical Physics 154, 134903, 2021
162021
Current advances in bio-fabricated quantum dots emphasising the study of mechanisms to diversify their catalytic and biomedical applications
R Mahle, P Kumbhakar, D Nayar, TN Narayanan, KK Sadasivuni, ...
Dalton Transactions 50 (40), 14062-14080, 2021
142021
A cosolvent surfactant mechanism affects polymer collapse in miscible good solvents
S Bharadwaj, D Nayar, C Dalgicdir, NFA van der Vegt
Communications Chemistry 3, 165, 2020
142020
Relating structure, entropy, and energy of solvation of nanoscale solutes: Application to gold nanoparticle dispersions
D Nayar, HOS Yadav, BS Jabes, C Chakravarty
The Journal of Physical Chemistry B 116 (43), 13124-13132, 2012
132012
PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
DB Korlepara, CS Vasavi, S Jeurkar, PK Pal, S Roy, S Mehta, S Sharma, ...
Scientific Data (Nature) 9, 548, 2022
92022
Latent Biases in Machine Learning Models for Predicting Binding Affinities Using Popular Data Sets
GC Kanakala, R Aggarwal, D Nayar, UD Priyakumar
ACS Omega 8 (2), 2389–2397, 2023
82023
Small crowder interactions can drive hydrophobic polymer collapse as well as unfolding
D Nayar
Physical Chemistry Chemical Physics 22 (32), 18091-18101, 2020
82020
Free energy landscapes of alanine oligopeptides in rigid-body and hybrid water models
D Nayar, C Chakravarty
The Journal of Physical Chemistry B 119 (34), 11106-11120, 2015
82015
Crowding effects on water-mediated hydrophobic interactions
R Sahu, D Nayar
The Journal of Chemical Physics 155, 024903, 2021
42021
Molecular Crowders Can Induce Collapse in Hydrophilic Polymers via Soft Attractive Interactions
D Nayar
J. Phys. Chem. B 127, 6265, 2023
32023
The system can't perform the operation now. Try again later.
Articles 1–20