article-journal

Modeling cryo-EM structures in alternative states with phaFold2-based models and density-guided simulations
Tatiana Shugaeva, Rebecca J. Howard, Nandan Haloi, Erik Lindahl
DOI
Modeling cryo-EM structures in alternative states with phaFold2-based models and density-guided simulations
Cryo-EM ligand building using AlphaFold3-like model and molecular dynamics
Nandan Haloi, Rebecca J. Howard, Erik Lindahl
DOI
Cryo-EM ligand building using AlphaFold3-like model and molecular dynamics
Resolving the conformational ensemble of a membrane protein by integrating small-angle scattering with AlphaFold
Samuel Eriksson Lidbrink, Rebecca Howard, Nandan Haloi, Erik Lindahl
DOI
Resolving the conformational ensemble of a membrane protein by integrating small-angle scattering with AlphaFold
Adaptive sampling-based structural prediction reveals opening of a GABAA receptor through the αβ interface
Nandan Haloi, Samuel E. Lidbrink, Rebecca J. Howard, Erik Lindahl
DOI
Adaptive sampling-based structural prediction reveals opening of a GABAA receptor through the αβ interface
Discovering cryptic pocket opening and binding of a stimulant derivative in a vestibular site of the 5-HT3A receptor
Nandan Haloi, Emelia Karlsson, Marc Delarue, Rebecca J. Howard, Erik Lindahl
DOI
Discovering cryptic pocket opening and binding of a stimulant derivative in a vestibular site of the 5-HT3A receptor
Structural basis for the oligomerization-facilitated NLRP3 activation
Xiaodi Yu, Rosalie E Matico, Robyn Miller, Dhruv Chauhan, Bertrand Van Schoubroeck, Karolien Grauwen, Javier Suarez, Beth Pietrak, Nandan Haloi, Yanting Yin, Gary John Tresadern, Laura Perez-Benito, Erik Lindahl, Astrid Bottelbergs, Daniel Oehlrich, Nina Van Opdenbosch, Sujata Sharma
DOI
Structural basis for the oligomerization-facilitated NLRP3 activation
Interactive computational and experimental approaches improve the sensitivity of periplasmic binding protein-based nicotine biosensors for measurements in biofluids
Nandan Haloi, Shan Huang, Aaron L. Nichols, Eve J. Fine, Nicholas J. Friesenhahn, Christopher B. Marotta, Dennis A Dougherty, Erik Lindahl, Rebecca J. Howard, Stephen L. Mayo, Henry A. Lester
DOI
Interactive computational and experimental approaches improve the sensitivity of periplasmic binding protein-based nicotine biosensors for measurements in biofluids
Structure and dynamics of differential ligand binding in the human ρ-type GABAA receptor
John Cowgill, Chen Fan, Nandan Haloi, Victor Tobiasson, Yuxuan Zhuang, Rebecca J Howard, Erik Lindahl
DOI
Structure and dynamics of differential ligand binding in the human ρ-type GABAA receptor
Quinoline Thiourea-Based Zinc Ionophores with Antibacterial Activity
Subhasis Dey, Anjali Patel, Nandan Haloi, Soumya Srimayee, Suman Paul, Ganesh Kumar Barik, Nasim Akhtar, Dipanjan Shaw, Gunanka Hazarika, Biswa Mohan Prusty, Mohit Kumar, Manas Kumar Santra, Emad Tajkhorshid, Surajit Bhattacharjee, Debasis Manna
DOI
Quinoline Thiourea-Based Zinc Ionophores with Antibacterial Activity
Structural Elucidation of Ivermectin Binding to α7nAChR and the Induced Channel Desensitization
Vasyl Bondarenko, Qiang Chen, Kevin Singewald, Nandan Haloi, Tommy S. Tillman, Rebecca J. Howard, Erik Lindahl, Yan Xu, Pei Tang
DOI
Structural Elucidation of Ivermectin Binding to α7nAChR and the Induced Channel Desensitization