In Silico Prediction of the Binding, Folding, Insertion, and Overall Stability of Membrane-Active Peptides von Frazee, Nicolas, Burns, Violeta, Gupta, Chitrak, Mertz, Blake

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Protonation Enhances the Inherent Helix-Forming Propensity of pHLIP von Gupta, Chitrak, Mertz, Blake

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CryoFold: Determining protein structures and data-guided ensembles from cryo-EM density maps von Shekhar, Mrinal, Terashi, Genki, Gupta, Chitrak, Sarkar, Daipayan, Debussche, Gaspard, Sisco, Nicholas J., Nguyen, Jonathan, Mondal, Arup, Vant, John, Fromme, Petra, Van Horn, Wade D., Tajkhorshid, Emad, Kihara, Daisuke, Dill, Ken, Perez, Alberto, Singharoy, Abhishek

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Multidimensional quantitative phenotypic and molecular analysis reveals neomorphic behaviors of p53 missense mutants von Pal, Anasuya, Gonzalez-Malerva, Laura, Eaton, Seron, Xu, Chenxi, Zhang, Yining, Grief, Dustin, Sakala, Lydia, Nwekwo, Lilian, Zeng, Jia, Christensen, Grant, Gupta, Chitrak, Streitwieser, Ellen, Singharoy, Abhishek, Park, Jin G., LaBaer, Joshua

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Solvent Ions Adversely Affect Binding of pHLIP to Bilayer Surfaces von Gupta, Chitrak, Mertz, Blake

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Cooperative Nonbonded Forces Control Membrane Binding of the pH-Low Insertion Peptide pHLIP von Gupta, Chitrak, Ren, Yue, Mertz, Blake

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Exploiting Tumor Acidity in Designing a Novel Cancer Targeting Agent von Gupta, Chitrak, Mertz, Blake

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The ugly, bad, and good stories of large-scale biomolecular simulations von Gupta, Chitrak, Sarkar, Daipayan, Tieleman, D. Peter, Singharoy, Abhishek

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Elucidating the Connection between Protonation Switches and Binding and Folding of pHLIP von Gupta, Chitrak, Mertz, Blake

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Using Monte Carlo microstates to follow proton transport in complex I von Uddin, MD Raihan, Khaniya, Umesh, Singharoy, Abhishek, Gupta, Chitrak, Gunner, Marilyn

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Charge Transfer and Chemo-Mechanical Coupling in Respiratory Complex I von Gupta, Chitrak, Khaniya, Umesh, Chan, Chun Kit, Dehez, Francois, Shekhar, Mrinal, Gunner, M. R, Sazanov, Leonid, Chipot, Christophe, Singharoy, Abhishek

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Disordered regions of respiratory supercomplexes offer new pathways for substrate channeling in crowded membranes von Chan, Chun Kit, Nguyen, Jonathan T., Gupta, Chitrak, Perez, Alberto, Mileykovskaya, Eugenia, Tajkhorshid, Emad, Singharoy, Abhishek

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Ions Modulate Key Interactions between pHLIP and Lipid Membranes von Westerfield, Justin, Gupta, Chitrak, Scott, Haden L., Ye, Yujie, Cameron, Alayna, Mertz, Blake, Barrera, Francisco N.

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Hydrogen bond network analysis reveals the pathway for the proton transfer in the E-channel of T. thermophilus Complex I von Khaniya, Umesh, Gupta, Chitrak, Cai, Xiuhong, Mao, Junjun, Kaur, Divya, Zhang, Yingying, Singharoy, Abhishek, Gunner, M.R.

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Finding the E-channel proton loading sites by calculating the ensemble of protonation microstates von Uddin, Md. Raihan, Khaniya, Umesh, Gupta, Chitrak, Mao, Junjun, Ranepura, Gehan A., Wei, Rongmei Judy, Ortiz-Soto, Jose, Singharoy, Abhishek, Gunner, M.R.

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Peptide bond conformation in peptides and proteins probed by dipolar coupling-chemical shift tensor correlation solid-state NMR von Mukhopadhyay, Dwaipayan, Gupta, Chitrak, Theint, Theint, Jaroniec, Christopher P.

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Chemomechanical Coupling of Mitochondrial Complex I von Gupta, Chitrak, Khaniya, Umesh, Kit Chan, Chun, Gunner, Marilyn, Chipot, Christophe, Dehez, Francois, Singharoy, Abhishek

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Hydrogen bond network analysis reveals the pathway for the proton transfer in the E-channel of T. thermophilus Complex I von Khaniya, Umesh, Gupta, Chitrak, Cai, Xiuhong, Mao, Junjun, Kaur, Divya, Zhang, Yingying, Singharoy, Abhishek, Gunner, M. R.

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Sodium Ions Hinder the Membrane Insertion of the pH-Low Insertion Peptide von Westerfield, Justin M., Gupta, Chitrak, Scott, Haden L., Ye, Yujie, Cameron, Alayna, Mertz, Blake, Barrera, Francisco N.

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Abstract P1-02-05: A genome-wide functional genomics screen reveals unique co-driver mutations of mutant TP53 promoting cellular heterogeneity during breast cancer progression von Grief, Dustin, Pal, Anasuya, Gonzalez-Malerva, Laura, Eaton, Seron, Xu, Chenxi, Christensen, Grant, Blain, Joy, Mellor, Nicholas, Steel, Jason, Gupta, Chitrak, Streitwieser, Ellen, Singharoy, Abhishek, Park, Jin, LaBaer, Joshua

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