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Review Articles:
Amyloid Oligomers: A Joint Experimental/Computational Perspective on Alzheimer's Disease, Parkinson's Disease, Type II Diabetes, and Amyotrophic Lateral Sclerosis
Phuong H. Nguyen, Ayyalusamy Ramamoorthy, Bikash R. Sahoo, Jie Zheng, Peter Faller, John E. Straub, Laura Dominguez, Joan-Emma Shea, Nikolay V. Dokholyan, Alfonso De Simone, Buyong Ma, Ruth Nussinov, Saeed Najafi, Son Tung Ngo Antoine Loquet, Mara Chiricotto, Pritam Ganguly, James McCarty, Mai Suan Li, Carol Hall, Yiming Wang, Yifat Miller, Simone Melchionna, Birgit Habenstein, Stepan Timr, Jiaxing Chen, Brianna Hnath, Birgit Strodel, Rakez Kayed, Sylvain Lesné, Guanghong Wei, Fabio Sterpone, Andrew J. Doig, Philippe Derreumaux
Chem. Rev. 2021, 121, 2545.
Protein Stability in TMAO and Mixed Urea-TMAO Solutions
Pritam Ganguly, Jakub Polák, Nico F. A. van der Vegt, Jan Heyda, Joan-Emma Shea
J. Phys. Chem. B 2020, 124, 6181 (Peter J. Rossky Festschrift) (Journal Cover).
Systematic Coarse-graining Methods for Soft Matter Simulations-a Review
Emiliano Brini, Elena A. Algaer, Pritam Ganguly, Chunli Li, Francisco Rodríguez-Ropero, Nico F.A. van der Vegt
Soft Matter 2013, 9, 2108.
Research Articles:
Water-directed Pinning is Key to Tau Prion Formation
Michael P. Vigers, Samuel Lobo, Saeed Najafi, Austin Dubose, Karen Tsay, Pritam Ganguly, Andrew P. Longhini, Yingying Jin, Steven K. Buratto, Kenneth S. Kosik, M. Scott Shell, Joan-Emma Shea, Songi Han
Proc. Natl. Acad. Sci. U.S.A. 2025, 122, e2421391122.
Effect of Cosolutes on the Aggregation of a Tau Fragment: A Combined Experimental and Simulation Approach
Andrea Arsiccio, Xikun Liu, Pritam Ganguly, Steven K. Buratto, Michael T. Bowers, Joan-Emma Shea
J. Phys. Chem. B 2023, 127, 4022.
Cosolvent Exclusion Drives Protein Stability in Trimethylamine N-Oxide and Betaine Solutions
Pritam Ganguly, Dominik Bubák, Jakub Polák, Patrik Fagan, Martin Dračínský, Nico F. A. van der Vegt, Jan Heyda,, Joan-Emma Shea
J. Phys. Chem. Lett. 2022, 13, 7980.
Tachykinin Neuropeptides and Amyloid β (25–35) Assembly: Friend or Foe?
Xikun Liu, Pritam Ganguly, Yingying Jin, Michael J. Jhatro, Joan-Emma Shea, Steven K. Buratto, Michael T. Bowers
J. Am. Chem. Soc. 2022, 144, 14614.
A Transfer Free Energy Based Implicit Solvent Model for Protein Simulations in Solvent Mixtures: Urea-Induced Denaturation as a Case Study
Andrea Arsiccio, Pritam Ganguly, Joan-Emma Shea
J. Phys. Chem. B 2022, 126, 4472 (Jose Onuchic Festschrift).
Catalytic Cross Talk between Key Peptide Fragments That Couple Alzheimer's Disease with Amyotrophic Lateral Sclerosis
Veronica Laos, Dezmond Bishop, Pritam Ganguly, Grace Schonfeld, Ellen Trapp, Kristi Lazar Cantrell, Steven K. Buratto, Joan-Emma Shea, Michael T. Bowers
J. Am. Chem. Soc. 2021, 143, 3494.
Terminal Capping of an Amyloidogenic Tau Fragment Modulates Its Fibrillation Propensity
Shruti Arya, Pritam Ganguly, Andrea Arsiccio, Sarah L Claud, Benjamin Trapp, Grace E Schonfeld, Xikun Liu, Kristi L. Lazar Cantrell, Joan-Emma Shea, Michael T. Bowers
J. Phys. Chem. B 2020, 124, 8772 (Journal Cover).
The ADD Force Field for Sugars and Polyols: Predicting the Additivity of Protein-Osmolyte Interaction
Andrea Arsiccio, Pritam Ganguly, Lorenzo La Cortiglia, Joan-Emma Shea, Roberto Pisano
J. Phys. Chem. B 2020, 124, 7779.
Distinct and Nonadditive Effects of Urea and Guanidinium Chloride on Peptide Solvation
Pritam Ganguly and Joan-Emma Shea
J. Phys. Chem. Lett. 2019, 10, 7406.
TMAO Counteracts Urea Denaturation by Inhibiting Protein-Urea Preferential Interaction
Pritam Ganguly, Pablo Boserman, Nico F. A. van der Vegt, Joan-Emma Shea
J. Am. Chem. Soc. 2018, 140, 483.
Signature of an Aggregation-prone Conformation of Tau
Neil A. Eschmann, Elka R. Georgieva, Pritam Ganguly, Peter P. Borbat, Maxime D. Rappaport, Yasar Akdogan, Jack H. Freed, Joan-Emma Shea, Songi Han
Sci. Rep. 2017, 7, 44739.
Hydrophobic Association in Mixed Urea-TMAO Solutions
Pritam Ganguly, Nico F. A. van der Vegt, Joan-Emma Shea
J. Phys. Chem. Lett. 2016, 7, 3052.
Tau Assembly: The Dominant Role of PHF6 (VQIVYK) in Microtubule Binding Region Repeat R3
Pritam Ganguly, Thanh D. Do, Luca Larini, Nichole E. LaPointe, Alexander J. Sercel, Madeleine F. Shade, Stuart C. Feinstein, Michael T. Bowers, Joan-Emma Shea
J. Phys. Chem. B 2015, 119, 4582.
Mutual Exclusion of Urea and Trimethylamine N-oxide from Amino Acids in Mixed Solvent Environment
Pritam Ganguly, Timir Hajari, Joan-Emma Shea, Nico F. A. van der Vegt
J. Phys. Chem. Lett. 2015, 6, 581.
# Correction to "Mutual Exclusion of Urea and Trimethylamine N-oxide from Amino Acids in Mixed Solvent Environment"
Pritam Ganguly, Timir Hajari, Joan-Emma Shea, Nico F. A. van der Vegt
J. Phys. Chem. Lett. 2015, 6, 4728.
Molecular Simulation Study on Hofmeister Cations and the Aqueous Solubility of Benzene
Pritam Ganguly, Timir Hajari, Nico F. A. van der Vegt
J. Phys. Chem. B 2014, 118, 5331.
Representability and Transferability of Kirkwood-Buff Iterative Boltzmann Inversion Models for Multicomponent Aqueous Systems
Pritam Ganguly and Nico F. A. van der Vegt
J. Chem. Theory Comput. 2013, 9, 5247.
Convergence of Sampling Kirkwood-Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations
Pritam Ganguly and Nico F. A. van der Vegt
J. Chem. Theory Comput. 2013, 9, 1347.
Enthalpy-Entropy of Cation Association with the Acetate Anion in Water
Timir Hajari, Pritam Ganguly, Nico F. A. van der Vegt
J. Chem. Theory Comput. 2012, 8, 3804 (Wilfred F. van Gunsteren Festschrift).
Kirkwood-Buff Coarse-Grained Force Fields for Aqueous Solutions
Pritam Ganguly, Debashish Mukherji, Christoph Junghans, Nico F.A. van der Vegt
J. Chem. Theory Comput. 2012, 8, 1802.
Ion Pairing in Aqueous Electrolyte Solutions with Biologically Relevant Anions
Pritam Ganguly, Pim Schravendijk, Berk Hess, Nico F.A. van der Vegt
J. Phys. Chem. B 2011, 115, 3734.
