Amalendu Chandra

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 38

Top Topics

Aqueous Solution

Alcohol Consumption

Molecular Dynamics

Energy Transfer

Top Venues

The journal of physical chemistry. B

Journal of computational chemistry

Physical chemistry chemical physics : PCCP

Chemphyschem : a European journal of chemical physics and physical chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Ravi Malik, Shinji Saito, Amalendu Chandra
Effect of counterions on the structure and dynamics of water near a negatively charged surfactant: a theoretical vibrational sum frequency generation study. Physical chemistry chemical physics : PCCP 26 (24) (2024)
Ravi Malik, Shinji Saito, Amalendu Chandra
Effect of counterions on the structure and dynamics of water near a negatively charged surfactant: a theoretical vibrational sum frequency generation study. Physical chemistry chemical physics : PCCP (2024)
Abhilash Chandra, Abhijit Kayal, Banshi Das, Amalendu Chandra
Dynamical Crossover of Interfacial Water upon Melting of a Lipid Bilayer: Influence of Different Parts of the Headgroups. The journal of physical chemistry. B (2023)
Saheb Dutta, Amalendu Chandra
A Multiple Proton Transfer Mechanism for the Charging Step of the Aminoacylation Reaction at the Active Site of Aspartyl tRNA Synthetase. Journal of chemical information and modeling (2023)
Bhavana Panthi, Saheb Dutta, Amalendu Chandra
All-atom simulations of the trimeric spike protein of SARS-CoV-2 in aqueous medium: Nature of interactions, conformational stability and free energy diagrams for conformational transition of the protein. Journal of computational chemistry (2023)
Ravi Malik, Banshi Das, Amalendu Chandra
Theoretical Two Dimensional Infrared Spectroscopy of Aqueous Solutions of tert -Butyl Alcohol: Variation of the Dynamics of Spectral Diffusion along the Percolation Transition. The journal of physical chemistry. B (2023)
Ravi Malik, Abhilash Chandra, Banshi Das, Amalendu Chandra
Temperature Dependence of Non-Condon Effects in Two-Dimensional Vibrational Spectroscopy of Water. The journal of physical chemistry. B 127 (11) (2023)
Prashant Kumar Pandey, Amalendu Chandra
Mechanism, Kinetics, and Potential of Mean Force of Evaporation of Water from Aqueous Sodium Chloride Solutions of Varying Concentrations. The journal of physical chemistry. B (2023)
Ravi Malik, Banshi Das, Amalendu Chandra
Theoretical Two Dimensional Infrared Spectroscopy of Aqueous Solutions of tert -Butyl Alcohol: Variation of the Dynamics of Spectral Diffusion along the Percolation Transition. The journal of physical chemistry. B 127 (18) (2023)
Deepika Sharma, Banshi Das, Amalendu Chandra
Terahertz Spectrum of Water at Varying Temperatures from 260 to 340 K: Contributions from Permanent and Induced Dipole Correlations at Different Length Scales. The journal of physical chemistry. B (2023)
Ravi Malik, Amalendu Chandra
Counteracting Effects of Trimethylamine N -Oxide against Urea in Aqueous Solutions: Insights from Theoretical Two-Dimensional Infrared Spectroscopy. The journal of physical chemistry. B (2023)
Ravi Malik, Abhilash Chandra, Banshi Das, Amalendu Chandra
Theoretical Study of the Two-Dimensional Vibrational Sum Frequency Generation Spectroscopy of the Air-Water Interface at Varying Temperature and Its Connections to the Interfacial Structure and Dynamics. The journal of physical chemistry. B (2023)
Shreya Rastogi, Amalendu Chandra
Free Energy Landscapes of the Tautomeric Interconversion of Pyridoxal 5'-Phosphate Aldimines at the Active Site of Ornithine Decarboxylase in Aqueous Media. The journal of physical chemistry. B (2023)
Ravi Malik, Abhilash Chandra, Banshi Das, Amalendu Chandra
Temperature Dependence of Non-Condon Effects in Two-Dimensional Vibrational Spectroscopy of Water. The journal of physical chemistry. B (2023)
Deepika Sharma, Amalendu Chandra
Terahertz Spectroscopy of Aqueous Solutions of Sodium Halides (NaX): Self- and Cross-Correlation Contributions of Ions and Hydration Shell Water for X - = F - , Cl - , Br - , and I . The journal of physical chemistry. B (2023)
Banshi Das, Amalendu Chandra
Vibrational Sum Frequency Generation Spectra of Water-Vapor Interfaces Covered by Alcohols: Effects of Surface Coverage and Coupling between Oscillators. Chemphyschem : a European journal of chemical physics and physical chemistry (2022)
Saheb Dutta, Bhavana Panthi, Amalendu Chandra
All-Atom Simulations of Human ACE2-Spike Protein RBD Complexes for SARS-CoV-2 and Some of its Variants: Nature of Interactions and Free Energy Diagrams for Dissociation of the Protein Complexes. The journal of physical chemistry. B 126 (29) (2022)
Banshi Das, Amalendu Chandra
Effects of stearyl alcohol monolayer on the structure, dynamics and vibrational sum frequency generation spectroscopy of interfacial water. Physical chemistry chemical physics : PCCP 24 (12) (2022)
Banshi Das, Amalendu Chandra
Ab Initio Molecular Dynamics Study of Aqueous Solutions of Magnesium and Calcium Nitrates: Hydration Shell Structure, Dynamics and Vibrational Echo Spectroscopy. The journal of physical chemistry. B 126 (2) (2022)
Saheb Dutta, Amalendu Chandra
Free Energy Landscape of the Adenylation Reaction of the Aminoacylation Process at the Active Site of Aspartyl tRNA Synthetase. The journal of physical chemistry. B 126 (31) (2022)
Nidhi Sorout, Amalendu Chandra
Interactions of the Aβ(1-42) Peptide with Boron Nitride Nanoparticles of Varying Curvature in an Aqueous Medium: Different Pathways to Inhibit β-Sheet Formation. The journal of physical chemistry. B 125 (40) (2021)
Kumari Soniya, Amalendu Chandra
Free Energy Landscape and Proton Transfer Pathways of the Transimination Reaction at the Active site of the Serine Hydroxymethyltransferase Enzyme in Aqueous Medium. The journal of physical chemistry. B 125 (43) (2021)
Sushma Yadav, Amalendu Chandra
Transport of hydrated nitrate and nitrite ions through graphene nanopores in aqueous medium. Journal of computational chemistry 41 (20) (2020)
Banshi Das, Subhadip Mondal, Amalendu Chandra
Two-Dimensional Infrared Spectroscopy of Aqueous Solutions of Metal Nitrates: Slowdown of Spectral Diffusion in the Presence of Divalent Cations. The journal of physical chemistry. B 124 (34) (2020)
Sindrila Dutta Banik, Arindam Bankura, Amalendu Chandra
A QM/MM simulation study of transamination reaction at the active site of aspartate aminotransferase: Free energy landscape and proton transfer pathways. Journal of computational chemistry 41 (32) (2020)
Bikramjit Sharma, Amalendu Chandra
Dynamics of Water in the Solvation Shell of an Iodate Ion: A Born-Oppenheimer Molecular Dynamics Study. The journal of physical chemistry. B 124 (13) (2020)
Nidhi Sorout, Amalendu Chandra
Effects of Boron Nitride Nanotube on the Secondary Structure of Aβ(1-42) Trimer: Possible Inhibitory Effect on Amyloid Formation. The journal of physical chemistry. B 124 (10) (2020)
Sushma Yadav, Amalendu Chandra
Solvation Shell of the Nitrite Ion in Water: An Ab Initio Molecular Dynamics Study. The journal of physical chemistry. B 124 (33) (2020)
Deepak Ojha, Amalendu Chandra
Urea in Water: Structure, Dynamics, and Vibrational Echo Spectroscopy from First-Principles Simulations. The journal of physical chemistry. B 123 (15) (2019)
Deepak Ojha, Amalendu Chandra
Vibrational echo spectroscopy of aqueous sodium bromide solutions from first principles simulations. Journal of computational chemistry 40 (24) (2019)
Bikramjit Sharma, Amalendu Chandra
Conformation-Induced Dynamical Heterogeneity of Water in the Solvation Shell of Zwitterionic γ-Aminobutyric Acid. The journal of physical chemistry. B 123 (38) (2019)
Bikramjit Sharma, Amalendu Chandra
On the issue of closed versus open forms of gamma-aminobutyric acid (GABA) in water: Ab initio molecular dynamics and metadynamics studies. The Journal of chemical physics 148 (19) (2018)
Bikramjit Sharma, Amalendu Chandra
Born-Oppenheimer Molecular Dynamics Simulations of a Bromate Ion in Water Reveal Its Dual Kosmotropic and Chaotropic Behavior. The journal of physical chemistry. B 122 (7) (2018)
Kumari Soniya, Amalendu Chandra
Free energy landscapes of prototropic tautomerism in pyridoxal 5'-phosphate schiff bases at the active site of an enzyme in aqueous medium. Journal of computational chemistry 39 (21) (2018)
Bikramjit Sharma, Amalendu Chandra
Nature of hydration shells of a polyoxy-anion with a large cationic centre: The case of iodate ion in water. Journal of computational chemistry 39 (19) (2018)
Sushma Yadav, Amalendu Chandra
Structural and Dynamical Nature of Hydration Shells of the Carbonate Ion in Water: An Ab Initio Molecular Dynamics Study. The journal of physical chemistry. B 122 (4) (2018)
Bikramjit Sharma, Amalendu Chandra
Ab Initio Molecular Dynamics Simulation of the Phosphate Ion in Water: Insights into Solvation Shell Structure, Dynamics, and Kosmotropic Activity. The journal of physical chemistry. B 121 (46) (2017)
Sushma Yadav, Ashu Choudhary, Amalendu Chandra
A First-Principles Molecular Dynamics Study of the Solvation Shell Structure, Vibrational Spectra, Polarity, and Dynamics around a Nitrate Ion in Aqueous Solution. The journal of physical chemistry. B 121 (38) (2017)