Jagannath Mondal

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 63

Top Topics

Escherichia Coli

Machine Learning

Single Molecule

Molecular Dynamics

Top Venues

The journal of physical chemistry. B

Journal of chemical theory and computation

Chemical science

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

Publications

Akshay Saroha, Monica Swetha Bosco, Sneha Menon, Pratibha Kumari, Tanmoy Maity, Subinoy Rana, Sachin Kotak, Jagannath Mondal, Sarit S Agasti
Regulation of microtubule dynamics and function in living cells via cucurbit[7]uril host-guest assembly. Chemical science 15 (30) (2024)
Rashmi Sharma, Susmita Sarkar, Sandip Chattopadhayay, Jagannath Mondal, Pinaki Talukdar
A Halogen-Bond-Driven Artificial Chloride-Selective Channel Constructed from 5-Iodoisophthalamide-based Molecules. Angewandte Chemie (International ed. in English) 63 (19) (2024)
Abdul Wasim, Sneha Menon, Jagannath Mondal
Modulation of α-synuclein aggregation amid diverse environmental perturbation. eLife 13 (2024)
Rashmi Sharma, Susmita Sarkar, Sandip Chattopadhayay, Jagannath Mondal, Pinaki Talukdar
A Halogen-Bond-Driven Artificial Chloride-Selective Channel Constructed from 5-Iodoisophthalamide-based Molecules. Angewandte Chemie (International ed. in English) (2024)
Abdul Wasim, Palash Bera, Jagannath Mondal
Elucidation of Spatial Positioning of Ribosomes around Chromosome in Escherichia coli Cytoplasm via a Data-Informed Polymer-Based Model. The journal of physical chemistry. B (2024)
Abdul Wasim, Palash Bera, Jagannath Mondal
Elucidation of Spatial Positioning of Ribosomes around Chromosome in Escherichia coli Cytoplasm via a Data-Informed Polymer-Based Model. The journal of physical chemistry. B 128 (14) (2024)
Akshay Saroha, Monica Swetha Bosco, Sneha Menon, Pratibha Kumari, Tanmoy Maity, Subinoy Rana, Sachin Kotak, Jagannath Mondal, Sarit S Agasti
Regulation of microtubule dynamics and function in living cells via cucurbit[7]uril host-guest assembly. Chemical science 15 (30) (2024)
Ramin Mehrani, Jagannath Mondal, Davoud Ghazanfari, Douglas J Goetz, Kelly D McCall, Stephen C Bergmeier, Sumit Sharma
Capturing the Effects of Single Atom Substitutions on the Inhibition Efficiency of Glycogen Synthase Kinase-3β Inhibitors via Markov State Modeling and Experiments. Journal of chemical theory and computation 20 (14) (2024)
Abdul Wasim, Sneha Menon, Jagannath Mondal
Modulation of α-synuclein aggregation amid diverse environmental perturbation. eLife 13 (2024)
Abdul Wasim, Sneha Menon, Jagannath Mondal
Modulation of α-synuclein aggregation amid diverse environmental perturbation. eLife 13 (2024)
Devika Vikraman, Bibhab Bandhu Majumdar, Sharavanakkumar Sk, Conrad Weichbrodt, Niels Fertig, Mathias Winterhalter, Jagannath Mondal, Kozhinjampara R Mahendran
Conformational flexibility driving charge-selective substrate translocation across a bacterial transporter. Chemical science 15 (24) (2024)
Devika Vikraman, Bibhab Bandhu Majumdar, Sharavanakkumar Sk, Conrad Weichbrodt, Niels Fertig, Mathias Winterhalter, Jagannath Mondal, Kozhinjampara R Mahendran
Conformational flexibility driving charge-selective substrate translocation across a bacterial transporter. Chemical science 15 (24) (2024)
Nandita Mohandas, Sumit Bawari, Jani J T Shibuya, Soumya Ghosh, Jagannath Mondal, Tharangattu N Narayanan, Ángel Cuesta
Understanding electrochemical interfaces through comparing experimental and computational charge density-potential curves. Chemical science 15 (18) (2024)
Abdul Wasim, Palash Bera, Jagannath Mondal
Elucidation of Spatial Positioning of Ribosomes around Chromosome in Escherichia coli Cytoplasm via a Data-Informed Polymer-Based Model. The journal of physical chemistry. B 128 (14) (2024)
Ramin Mehrani, Jagannath Mondal, Davoud Ghazanfari, Douglas J Goetz, Kelly D McCall, Stephen C Bergmeier, Sumit Sharma
Capturing the Effects of Single Atom Substitutions on the Inhibition Efficiency of Glycogen Synthase Kinase-3β Inhibitors via Markov State Modeling and Experiments. Journal of chemical theory and computation (2024)
Nandita Mohandas, Sumit Bawari, Jani J T Shibuya, Soumya Ghosh, Jagannath Mondal, Tharangattu N Narayanan, Ángel Cuesta
Understanding electrochemical interfaces through comparing experimental and computational charge density-potential curves. Chemical science 15 (18) (2024)
Palash Bera, Jagannath Mondal
Machine learning unravels inherent structural patterns in Escherichia coli Hi-C matrices and predicts chromosome dynamics. Nucleic acids research (2024)
Navjeet Ahalawat, Mohammad Sahil, Jagannath Mondal
Resolving Protein Conformational Plasticity and Substrate Binding via Machine Learning. Journal of chemical theory and computation (2023)
Satyabrata Bandyopadhyay, Jagannath Mondal
A deep encoder-decoder framework for identifying distinct ligand binding pathways. The Journal of chemical physics 158 (19) (2023)
Abdul Wasim, Palash Bera, Jagannath Mondal
Development of a Data-Driven Integrative Model of a Bacterial Chromosome. Journal of chemical theory and computation (2023)
Abhishek Mondal, Shreyada N Save, Susmita Sarkar, Debashis Mondal, Jagannath Mondal, Shilpy Sharma, Pinaki Talukdar
A Benzohydrazide-Based Artificial Ion Channel that Modulates Chloride Ion Concentration in Cancer Cells and Induces Apoptosis by Disruption of Autophagy. Journal of the American Chemical Society (2023)
Abdul Wasim, Palash Bera, Jagannath Mondal
Development of a Data-Driven Integrative Model of a Bacterial Chromosome. Journal of chemical theory and computation (2023)
Abdul Wasim, Palash Bera, Jagannath Mondal
Development of a Data-Driven Integrative Model of a Bacterial Chromosome. Journal of chemical theory and computation (2023)
Susmita Sarkar, Anku Guha, Rayantan Sadhukhan, Tharangattu N Narayanan, Jagannath Mondal
Osmolytes as Cryoprotectants under Salt Stress. ACS biomaterials science & engineering (2023)
Sneha Menon, Jagannath Mondal
Conformational Plasticity in α-Synuclein and How Crowded Environment Modulates It. The journal of physical chemistry. B 127 (18) (2023)
Subinoy Adhikari, Jagannath Mondal
Machine Learning Subtle Conformational Change due to Phosphorylation in Intrinsically Disordered Proteins. The journal of physical chemistry. B (2023)
Bhupendra Ramesh Dandekar, Navjeet Ahalawat, Suman Sinha, Jagannath Mondal
Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event. JACS Au 3 (6) (2023)
Mohammad Sahil, Tejender Singh, Soumya Ghosh, Jagannath Mondal
3site Multisubstrate-Bound State of Cytochrome P450cam. Journal of the American Chemical Society (2023)
Nidhi Anilkumar Jamuna, Adithya Kamalakshan, Bhupendra Ramesh Dandekar, Anu Maria Chittilappilly Devassy, Jagannath Mondal, Sarthak Mandal
Mechanistic Insight into the Amyloid Fibrillation Inhibition of Hen Egg White Lysozyme by Three Different Bile Acids. The journal of physical chemistry. B 127 (10) (2023)
Bhupendra Ramesh Dandekar, Bibhab Bandhu Majumdar, Jagannath Mondal
Nonmonotonic Modulation of the Protein-Ligand Recognition Event by Inert Crowders. The journal of physical chemistry. B (2023)
Nidhi Anilkumar Jamuna, Adithya Kamalakshan, Bhupendra Ramesh Dandekar, Anu Maria Chittilappilly Devassy, Jagannath Mondal, Sarthak Mandal
Mechanistic Insight into the Amyloid Fibrillation Inhibition of Hen Egg White Lysozyme by Three Different Bile Acids. The journal of physical chemistry. B (2023)
Nidhi Anilkumar Jamuna, Adithya Kamalakshan, Bhupendra Ramesh Dandekar, Anu Maria Chittilappilly Devassy, Jagannath Mondal, Sarthak Mandal
Mechanistic Insight into the Amyloid Fibrillation Inhibition of Hen Egg White Lysozyme by Three Different Bile Acids. The journal of physical chemistry. B 127 (10) (2023)
Mohammad Sahil, Jayanti Singh, Subhankar Sahu, Sushant Kumar Pal, Ajit Yadav, Ruchi Anand, Jagannath Mondal
Identifying Selectivity Filters in Protein Biosensor for Ligand Screening. JACS Au 3 (10) (2023)
Bhupendra Ramesh Dandekar, Navjeet Ahalawat, Suman Sinha, Jagannath Mondal
Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event. JACS Au 3 (6) (2023)
Bhupendra Ramesh Dandekar, Navjeet Ahalawat, Suman Sinha, Jagannath Mondal
Markov State Models Reconcile Conformational Plasticity of GTPase with Its Substrate Binding Event. JACS Au 3 (6) (2023)
Sneha Menon, Jagannath Mondal
Conformational Plasticity in α-Synuclein and How Crowded Environment Modulates It. The journal of physical chemistry. B 127 (18) (2023)
Sneha Menon, Jagannath Mondal
Conformational Plasticity in α-Synuclein and How Crowded Environment Modulates It. The journal of physical chemistry. B (2023)
Abdul Wasim, Palash Bera, Jagannath Mondal
Development of a Data-Driven Integrative Model of a Bacterial Chromosome. Journal of chemical theory and computation (2023)
Susmita Sarkar, Tharangattu N Narayanan, Jagannath Mondal
A Synergistic View on Osmolyte's Role against Salt and Cold Stress in Biointerfaces. Langmuir : the ACS journal of surfaces and colloids (2023)
Chandranath Ghosh, Sneha Menon, Subhajit Bal, Surashree Goswami, Jagannath Mondal, Dibyendu Das
Emergence of Catalytic Triad by Short Peptide Based Nanofibrillar Assemblies. Nano letters (2023)
Susmita Sarkar, Anku Guha, Tharangattu N Narayanan, Jagannath Mondal
Zwitterionic Osmolytes Revive Surface Charges under Salt Stress via Dual Mechanisms. The journal of physical chemistry letters 13 (24) (2022)
Debashis Mondal, Bhupendra Ramesh Dandekar, Manzoor Ahmad, Abhishek Mondal, Jagannath Mondal, Pinaki Talukdar
Selective and rapid water transportation across a self-assembled peptide-diol channel via the formation of a dual water array. Chemical science 13 (33) (2022)
Bibhab Bandhu Majumdar, Jagannath Mondal
Impact of Inert Crowders on Host-Guest Recognition Process. The journal of physical chemistry. B (2022)
Satyabrata Bandyopadhyay, Bibhab Bandhu Majumdar, Jagannath Mondal
Solvent's Role in Cavity-Ligand Recognition Would Depend on the Mode of Ligand Diffusion. The journal of physical chemistry. B 126 (16) (2022)
Satyabrata Bandyopadhyay, Jagannath Mondal
A deep autoencoder framework for discovery of metastable ensembles in biomacromolecules. The Journal of chemical physics 155 (11) (2021)
Susmita Sarkar, Jagannath Mondal
Mechanistic Insights on ATP's Role as a Hydrotrope. The journal of physical chemistry. B 125 (28) (2021)
Dube Dheeraj Prakashchand, Jagannath Mondal
Conformational Reorganization of Apolipoprotein E Triggered by Phospholipid Assembly. The journal of physical chemistry. B 125 (20) (2021)
Mrinmoy Mukherjee, Jagannath Mondal
Bottom-Up View of the Mechanism of Action of Protein-Stabilizing Osmolytes. The journal of physical chemistry. B 124 (50) (2020)
Mrinmoy Mukherjee, Jagannath Mondal
Unifying the Contrasting Mechanisms of Protein-Stabilizing Osmolytes. The journal of physical chemistry. B 124 (30) (2020)
Dube Dheeraj Prakashchand, Navjeet Ahalawat, Satyabrata Bandyopadhyay, Surajit Sengupta, Jagannath Mondal
Nonaffine Displacements Encode Collective Conformational Fluctuations in Proteins. Journal of chemical theory and computation 16 (4) (2020)
Navjeet Ahalawat, Satyabrata Bandyopadhyay, Jagannath Mondal
On the role of solvent in hydrophobic cavity-ligand recognition kinetics. The Journal of chemical physics 152 (7) (2020)
Navjeet Ahalawat, Jagannath Mondal
An Appraisal of Computer Simulation Approaches in Elucidating Biomolecular Recognition Pathways. The journal of physical chemistry letters 12 (1) (2020)
Bhupendra Ramesh Dandekar, Jagannath Mondal
Capturing Protein-Ligand Recognition Pathways in Coarse-Grained Simulation. The journal of physical chemistry letters 11 (13) (2020)
Biplab Sarkar, Zain Siddiqui, Peter K Nguyen, Namita Dube, Wanyi Fu, Steven Park, Shivani Jaisinghani, Reshma Paul, Stephen D Kozuch, Daiyong Deng, Patricia Iglesias-Montoro, Mengyan Li, David Sabatino, David S Perlin, Wen Zhang, Jagannath Mondal, Vivek A Kumar
Membrane-Disrupting Nanofibrous Peptide Hydrogels. ACS biomaterials science & engineering 5 (9) (2019)
Jaya Krishna Koneru, Xiao Zhu, Jagannath Mondal
Quantitative Assessment of the Conformational Heterogeneity in Amylose across Force Fields. Journal of chemical theory and computation 15 (11) (2019)
Dheeraj Dube, Navjeet Ahalawat, Himanshu Khandelia, Jagannath Mondal, Surajit Sengupta
On identifying collective displacements in apo-proteins that reveal eventual binding pathways. PLoS computational biology 15 (1) (2019)
Jaya Krishna Koneru, Suman Sinha, Jagannath Mondal
In Silico Reoptimization of Binding Affinity and Drug-Resistance Circumvention Ability in Kinase Inhibitors: A Case Study with RL-45 and Src Kinase. The journal of physical chemistry. B 123 (31) (2019)
Mrinmoy Mukherjee, Jagannath Mondal
Osmolyte-Induced Collapse of a Charged Macromolecule. The journal of physical chemistry. B 123 (22) (2019)
Mrinmoy Mukherjee, Jagannath Mondal
Osmolyte-Induced Macromolecular Aggregation Is Length-Scale Dependent. The journal of physical chemistry. B 123 (41) (2019)
Mrinmoy Mukherjee, Jagannath Mondal
Heterogeneous Impacts of Protein-Stabilizing Osmolytes on Hydrophobic Interaction. The journal of physical chemistry. B 122 (27) (2018)
Jagannath Mondal, Navjeet Ahalawat, Subhendu Pandit, Lewis E Kay, Pramodh Vallurupalli
Atomic resolution mechanism of ligand binding to a solvent inaccessible cavity in T4 lysozyme. PLoS computational biology 14 (5) (2018)
Navjeet Ahalawat, Jagannath Mondal
Mapping the Substrate Recognition Pathway in Cytochrome P450. Journal of the American Chemical Society 140 (50) (2018)
Jagannath Mondal
A brief appraisal of computational modeling of antimicrobial peptides' activity. Drug development research 80 (1) (2018)