Sayantan Mondal

发表

Distinguishing dynamical features of water inside protein hydration layer: Distribution reveals what is hidden behind the average.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2017, The Journal of chemical physics.

Accelerating drug discovery through tight integration of expert molecular design and predictive scoring.

Robert Abel, Richard A Friesner, Sathesh Bhat, 2017, Current opinion in structural biology.

Topological phase transition induced by band structure modulation in a Chern insulator

S. Basu, Sayantan Mondal, T. Ghosh, 2020, Journal of physics. Condensed matter : an Institute of Physics journal.

Emergence of Dynamical Coherence in a Driven One-dimensional Interacting Rotor Model

B. Bagchi, S. S. Iyer, Sayantan Mondal, 2021, 2107.04215.

9.12 Interactions of the Cell Membrane with Integral Proteins

H. Weinstein, G. Khelashvili, Sayantan Mondal, 2012 .

Ultrafast Nuclear Dynamics of Photoexcited Guanosine-5'-Monophosphate in Three Singlet States.

Sayantan Mondal, Mrinalini Puranik, 2017, The journal of physical chemistry. B.

Ultrafast structural dynamics of photoexcited adenine.

Sayantan Mondal, Mrinalini Puranik, 2017, Physical chemistry chemical physics : PCCP.

Sub-50 fs excited state dynamics of 6-chloroguanine upon deep ultraviolet excitation.

Sayantan Mondal, Mrinalini Puranik, 2016, Physical chemistry chemical physics : PCCP.

Effect of ethanol on insulin dimer dissociation.

B. Bagchi, Sayantan Mondal, P. Banerjee, 2019, The Journal of chemical physics.

Insulin dimer dissociation in aqueous solution: A computational study of free energy landscape and evolving microscopic structure along the reaction pathway.

B. Bagchi, Sayantan Mondal, P. Banerjee, 2018, The Journal of chemical physics.

Alkynes as Linchpins for the Additive Annulation of Biphenyls: Convergent Construction of Functionalized Fused Helicenes.

Sayantan Mondal, M. Shatruk, I. Alabugin, 2016, Angewandte Chemie.

A Garratt–Braverman route to aryl naphthalene lignans

Sayantan Mondal, A. Basak, M. Maji, 2011 .

Alkenes as alkyne equivalents in radical cascades terminated by fragmentations: overcoming stereoelectronic restrictions on ring expansions for the preparation of expanded polyaromatics.

Sayantan Mondal, Tanmay Banerjee, I. Alabugin, 2015, Journal of the American Chemical Society.

Protein and Lipid Interactions Driving Molecular Mechanisms of in meso Crystallization

H. Weinstein, M. Caffrey, G. Morra, 2014, Journal of the American Chemical Society.

Cavity Waters Govern Insulin Association and Release: Inferences from Experimental Data and Molecular Dynamics Simulations

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2017, 1710.08443.

Garratt–Braverman Cyclization, a Powerful Tool for C–C Bond Formation

Sayantan Mondal, P. Addy, Raja Mukherjee, 2012, Synlett.

From structure and dynamics to biomolecular functions: The ubiquitous role of solvent in biology.

B. Bagchi, Sayantan Mondal, 2022, Current opinion in structural biology.

An interesting competition between 6π-electro- and Garratt–Braverman cyclization in bis-diene-allene sulfones: synergy between experiment and theory

Sayantan Mondal, A. Basak, S. Jana, 2012 .

A Free Energy Perturbation Approach to Estimate the Intrinsic Solubilities of Drug-like Small Molecules

G. Tresadern, R. Farid, J. Greenwood, 2019 .

Anomalous dielectric response of nanoconfined water.

B. Bagchi, Sayantan Mondal, 2021, The Journal of chemical physics.

How different are the dynamics of nanoconfined water?

B. Bagchi, Sayantan Mondal, 2020, The Journal of chemical physics.

Decomposition of total solvation energy into core, side-chains and water contributions: Role of cross correlations and protein conformational fluctuations in dynamics of hydration layer

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2017 .

Rerouting radical cascades: intercepting the homoallyl ring expansion in enyne cyclizations via C-S scission.

Sayantan Mondal, I. Alabugin, B. Gold, 2014, The Journal of organic chemistry.

Drawing from a pool of radicals for the design of selective enyne cyclizations.

Sayantan Mondal, M. Manoharan, I. Alabugin, 2013, Organic letters.

Unique Features of Metformin: A Combined Experimental, Theoretical, and Simulation Study of Its Structure, Dynamics, and Interaction Energetics with DNA Grooves.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2018, The journal of physical chemistry. B.

Selectivity in Garratt-Braverman cyclization: an experimental and computational study.

Sayantan Mondal, E. Jemmis, A. Basak, 2011, Organic letters.

The Missing C1-C5 Cycloaromatization Reaction: Triplet State Antiaromaticity Relief and Self-Terminating Photorelease of Formaldehyde for Synthesis of Fulvenes from Enynes.

Sayantan Mondal, H. Ottosson, I. Alabugin, 2015, Journal of the American Chemical Society.

OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules.

Robert Abel, Lingle Wang, Richard A. Friesner, 2019, Journal of chemical theory and computation.

Mathematical modeling and cellular automata simulation of infectious disease dynamics: Applications to the understanding of herd immunity.

Saumyak Mukherjee, Sayantan Mondal, Biman Bagchi, 2020, The Journal of chemical physics.

Altered polar character of nanoconfined liquid water

B. Bagchi, Sayantan Mondal, Subhajit Acharya, 2019 .

Kinetics of Melanin Polymerization during Enzymatic and Nonenzymatic Oxidation.

Sayantan Mondal, Mrinalini Puranik, Arya Thampi, 2018, The journal of physical chemistry. B.

An exact solution in the theory of fluorescence resonance energy transfer with vibrational relaxation.

B. Bagchi, K. Seki, Sayantan Mondal, 2021, The Journal of chemical physics.

Quantitative modeling of membrane deformations by multihelical membrane proteins: application to G-protein coupled receptors.

George Khelashvili, Jufang Shan, Harel Weinstein, 2011, Biophysical journal.

Interaction with the Membrane Uncovers Essential Differences Between Highly Homologous GPCRs

H. Weinstein, G. Khelashvili, Sayantan Mondal, 2012 .

Reactivity of bispropargyl sulfones under basic conditions: interplay between Garratt-Braverman and Schmittel/Myers-Saito cyclization pathway.

Sayantan Mondal, E. Jemmis, Raja Mukherjee, 2012, Chemistry, an Asian journal.

Water in Carbon Nanotubes: Pronounced Anisotropy in Dielectric Dispersion and Its Microscopic Origin.

B. Bagchi, Sayantan Mondal, 2019, The journal of physical chemistry letters.

Origin of diverse time scales in the protein hydration layer solvation dynamics: A simulation study.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2017, The Journal of chemical physics.

Novel Physics-Based Ensemble Modeling Approach That Utilizes 3D Molecular Conformation and Packing to Access Aqueous Thermodynamic Solubility: A Case Study of Orally Available Bromodomain and Extraterminal Domain Inhibitor Lead Optimization Series

Alessandra Mattei, Lingle Wang, Rajni Miglani Bhardwaj, 2021, J. Chem. Inf. Model..

What Gives an Insulin Hexamer Its Unique Shape and Stability? Role of Ten Confined Water Molecules.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2018, The journal of physical chemistry. B.

Divalent Ion-Induced Switch in DNA Cleavage of KpnI Endonuclease Probed through Surface-Enhanced Raman Spectroscopy.

V. Nagaraja, Sayantan Mondal, C. Narayana, 2021, The journal of physical chemistry. B.

Noncovalent inhibitors reveal BTK gatekeeper and auto-inhibitory residues that control its transforming activity.

Michael R. Green, V. Seshan, Phani Ghanakota, 2019, JCI insight.

Design of leaving groups in radical C-C fragmentations: through-bond 2c-3e interactions in self-terminating radical cascades.

Sayantan Mondal, I. Alabugin, B. Gold, 2014, Chemistry.

Mechanism of Solvent Control of Protein Dynamics.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2019, Physical review letters.

In search of the origin of long-time power-law decay in DNA solvation dynamics.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2018, 1808.10471.

Enhancement of reaction rate in small-sized droplets: A combined analytical and simulation study.

R. Zare, B. Bagchi, Sayantan Mondal, 2018, The Journal of chemical physics.

Membrane Driven Spatial Organization of GPCRs

George Khelashvili, Marta Filizola, Jennifer M. Johnston, 2013, Scientific Reports.

Ligand-Dependent Conformations and Dynamics of the Serotonin 5-HT2A Receptor Determine Its Activation and Membrane-Driven Oligomerization Properties

George Khelashvili, Jufang Shan, Harel Weinstein, 2012, PLoS Comput. Biol..

Protein Hydration Dynamics: Much Ado about Nothing?

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2017, The journal of physical chemistry letters.

Altered Dielectric Behaviour, Structure and Dynamics of Nanoconfined Dipolar Liquids: Signatures of Enhanced Cooperativity

B. Bagchi, Sayantan Mondal, Subhajit Acharya, 2019, 1904.05860.

Unfolding of Dynamical Events in the Early Stage of Insulin Dimer Dissociation.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2021, The journal of physical chemistry. B.

Water Layer at Hydrophobic Surface: Electrically Dead but Dynamically Alive?

B. Bagchi, Sayantan Mondal, 2020, Nano letters.

How the dynamic properties and functional mechanisms of GPCRs are modulated by their coupling to the membrane environment.

H. Weinstein, G. Khelashvili, Sayantan Mondal, 2014, Advances in experimental medicine and biology.

Comment on “investigation of dielectric constants of water in a nano-confined pore” by H. Zhu, F. Yang, Y. Zhu, A. Li, W. He, J. Huang and G. Li, RSC Adv., 2020, 10, 8628

B. Bagchi, Sayantan Mondal, 2021, RSC advances.

Why GPCRs behave differently in cubic and lamellar lipidic mesophases

H. Weinstein, M. Caffrey, G. Khelashvili, 2012, Journal of the American Chemical Society.

Coacervation-Induced Remodeling of Nanovesicles.

Q. Cui, Sayantan Mondal, 2023, The journal of physical chemistry letters.

Identification of Potent Paracaspase MALT1 Inhibitors for Hematological Malignancies

V. Feher, M. Lawrenz, Sayantan Mondal, 2020 .

Dynamical coupling between protein conformational fluctuation and hydration water: Heterogeneous dynamics of biological water

Saumyak Mukherjee, Sayantan Mondal, Biman Bagchi, 2017, 1701.04861.

DNA Solvation Dynamics.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2018, The journal of physical chemistry. B.

Role of Explicit Solvation in the Simulation of Resonance Raman Spectra within Short-Time Dynamics Approximation.

Sayantan Mondal, C. Narayana, 2019, The journal of physical chemistry. B.

Ice-water Interface: Correlation between Structure and Dynamics

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2019, 1908.00299.

Channelrhodopsin-2 Function is Modulated by Residual Hydrophobic Mismatch with the Surrounding Lipid Environment

Harel Weinstein, Sayan Mondal, Ryan Richards, 2019, Applied Sciences.

Bimodal 1/f noise and anticorrelation between DNA-Water and DNA-Ion energy fluctuations

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2022, bioRxiv.

Destabilization of Insulin Hexamer in Water-Ethanol Binary Mixture.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2019, The journal of physical chemistry. B.

Not Just an Oil Slick: How the Energetics of Protein-Membrane Interactions Impacts the Function and Organization of Transmembrane Proteins

George Khelashvili, Harel Weinstein, Sayan Mondal, 2014, Biophysical journal.

The cost of living in the membrane: a case study of hydrophobic mismatch for the multi-segment protein LeuT.

George Khelashvili, Harel Weinstein, Lei Shi, 2013, Chemistry and physics of lipids.

Rate of Insulin Dimer Dissociation: Interplay between Memory Effects and Higher Dimensionality.

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2021, The journal of physical chemistry. B.

Intricate packing in the hydrophobic core of barstar through a CH-π interaction

J. Udgaonkar, Sayantan Mondal, Mrinalini Puranik, 2014 .

Structural heterogeneity in biliverdin modulates spectral properties of Sandercyanin fluorescent protein

S. Ramaswamy, Sayantan Mondal, C. Narayana, 2021, bioRxiv.

Alkenes as alkyne equivalents in radical cascades terminated by fragmentations: overcoming stereoelectronic restrictions on ring expansions for the preparation of expanded polyaromatics.

Sayantan Mondal, Tanmay Banerjee, I. Alabugin, 2015, Journal of the American Chemical Society.

Dynamical Theory and Cellular Automata Simulations of Pandemic Spread: Understanding Different Temporal Patterns of Infections

Saumyak Mukherjee, Sayantan Mondal, Biman Bagchi, 2020, 2004.14787.

Enhancement of reaction rate in small-sized droplets: A combined analytical and simulation study.

R. Zare, B. Bagchi, Sayantan Mondal, 2018, The Journal of chemical physics.

Stochastic formulation of multiwave pandemic: decomposition of growth into inherent susceptibility and external infectivity distributions

B. Bagchi, Saumyak Mukherjee, Sayantan Mondal, 2021, Journal of Chemical Sciences.

Cholesterol modulates the membrane effects and spatial organization of membrane-penetrating ligands for G-protein coupled receptors.

H. Weinstein, G. Khelashvili, Sayantan Mondal, 2010, The journal of physical chemistry. B.