Structures of lipoyl synthase reveal a compact active site for controlling sequential sulfur insertion reactions
Harmer, Jenny E, Hiscox, Martyn J, Dinis, Pedro C, Fox, Stephen J, Iliopoulos, Andreas, Hussey, James E, Sandy, James, Van Beek, Florian T, Essex, Jonathan W, Roach, Peter L
Published in Biochemical journal (15.11.2014)
Published in Biochemical journal (15.11.2014)
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Journal Article
ezAlign: A Tool for Converting Coarse-Grained Molecular Dynamics Structures to Atomistic Resolution for Multiscale Modeling
Bennett, W F Drew, Bernardi, Austen, Ozturk, Tugba Nur, Ingólfsson, Helgi I, Fox, Stephen J, Sun, Delin, Maupin, C Mark
Published in Molecules (Basel, Switzerland) (28.07.2024)
Published in Molecules (Basel, Switzerland) (28.07.2024)
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Journal Article
X-ray crystallographic and EPR spectroscopic analysis of HydG, a maturase in [FeFe]-hydrogenase H-cluster assembly
Dinis, Pedro, Suess, Daniel L. M., Fox, Stephen J., Harmer, Jenny E., Driesener, Rebecca C., De La Paz, Liliana, Swartz, James R., Essex, Jonathan W., Britt, R. David, Roach, Peter L.
Published in Proceedings of the National Academy of Sciences - PNAS (03.02.2015)
Published in Proceedings of the National Academy of Sciences - PNAS (03.02.2015)
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Journal Article
Bacterial Membranes Are More Perturbed by the Asymmetric Versus Symmetric Loading of Amphiphilic Molecules
Drew Bennett, W F, Fox, Stephen J, Sun, Delin, Maupin, C Mark
Published in Membranes (Basel) (22.03.2022)
Published in Membranes (Basel) (22.03.2022)
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Journal Article
Computational Methods and Tools in Antimicrobial Peptide Research
Aronica, Pietro G.A, Reid, Lauren M, Desai, Nirali, Li, Jianguo, Fox, Stephen J, Yadahalli, Shilpa, Essex, Jonathan W, Verma, Chandra S
Published in Journal of chemical information and modeling (26.07.2021)
Published in Journal of chemical information and modeling (26.07.2021)
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Journal Article
Exploring Gatekeeper Mutations in EGFR through Computer Simulations
Kannan, Srinivasaraghavan, Fox, Stephen J, Verma, Chandra S
Published in Journal of chemical information and modeling (24.06.2019)
Published in Journal of chemical information and modeling (24.06.2019)
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Journal Article
Conformational Analysis of 1,3-Difluorinated Alkanes
Poole, William G., Peron, Florent, Fox, Stephen J., Wells, Neil, Skylaris, Chris-Kriton, Essex, Jonathan W., Kuprov, Ilya, Linclau, Bruno
Published in Journal of organic chemistry (21.06.2024)
Published in Journal of organic chemistry (21.06.2024)
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Journal Article
Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
Fox, Stephen J., Dziedzic, Jacek, Fox, Thomas, Tautermann, Christofer S., Skylaris, Chris-Kriton
Published in Proteins, structure, function, and bioinformatics (01.12.2014)
Published in Proteins, structure, function, and bioinformatics (01.12.2014)
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Journal Article
Conformational Transitions of Melittin between Aqueous and Lipid Phases: Comparison of Simulations with Experiments
Fox, Stephen J, Lakshminarayanan, Rajamani, Beuerman, Roger W, Li, Jianguo, Verma, Chandra S
Published in The journal of physical chemistry. B (20.09.2018)
Published in The journal of physical chemistry. B (20.09.2018)
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Journal Article
Large scale ab initio modeling of structurally uncharacterized antimicrobial peptides reveals known and novel folds
Kozic, Mara, Fox, Stephen J., Thomas, Jens M., Verma, Chandra S., Rigden, Daniel J.
Published in Proteins, structure, function, and bioinformatics (01.05.2018)
Published in Proteins, structure, function, and bioinformatics (01.05.2018)
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Journal Article
Electrostatic embedding in large-scale first principles quantum mechanical calculations on biomolecules
Fox, Stephen J, Pittock, Chris, Fox, Thomas, Tautermann, Christofer S, Malcolm, Noj, Skylaris, Chris-Kriton
Published in The Journal of chemical physics (14.12.2011)
Published in The Journal of chemical physics (14.12.2011)
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Quantum scale biomimicry of low dimensional growth: An unusual complex amorphous precursor route to TiO2 band confinement by shape adaptive biopolymer-like flexibility for energy applications
Choi, Dahyun, Sonkaria, Sanjiv, Fox, Stephen J., Poudel, Shivraj, Kim, Sung-yong, Kang, Suhee, Kim, Seheon, Verma, Chandra, Ahn, Sung Hoon, Lee, Caroline Sunyong, Khare, Varsha
Published in Scientific reports (10.12.2019)
Published in Scientific reports (10.12.2019)
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Journal Article
Characterization of Hydration Properties in Structural Ensembles of Biomolecules
Pradhan, Mohan R, Nguyen, Minh N, Kannan, Srinivasaraghavan, Fox, Stephen J, Kwoh, Chee Keong, Lane, David P, Verma, Chandra S
Published in Journal of chemical information and modeling (22.07.2019)
Published in Journal of chemical information and modeling (22.07.2019)
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Journal Article
A Computational Study of Vicinal Fluorination in 2,3-Difluorobutane: Implications for Conformational Control in Alkane Chains
Fox, Stephen J., Gourdain, Stephanie, Coulthurst, Anton, Fox, Clare, Kuprov, Ilya, Essex, Jonathan W., Skylaris, Chris-Kriton, Linclau, Bruno
Published in Chemistry : a European journal (19.01.2015)
Published in Chemistry : a European journal (19.01.2015)
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Journal Article
Free Energies of Binding from Large-Scale First-Principles Quantum Mechanical Calculations: Application to Ligand Hydration Energies
Fox, Stephen J, Pittock, Chris, Tautermann, Christofer S, Fox, Thomas, Christ, Clara, Malcolm, N. O. J, Essex, Jonathan W, Skylaris, Chris-Kriton
Published in The journal of physical chemistry. B (15.08.2013)
Published in The journal of physical chemistry. B (15.08.2013)
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Journal Article
SWING TIP ASSEMBLY ROTATION JOINT
FOX STEPHEN J, FOX BRUCE R, JONES KELLY T, BENNETT NICHOLAS I, SAKURAI SEIYA, GOOD MARK S
Year of Publication 31.12.2013
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Year of Publication 31.12.2013
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Quantum scale biomimicry of low dimensional growth: An unusual complex amorphous precursor route to TiO 2 band confinement by shape adaptive biopolymer-like flexibility for energy applications
Choi, Dahyun, Sonkaria, Sanjiv, Fox, Stephen J, Poudel, Shivraj, Kim, Sung-Yong, Kang, Suhee, Kim, Seheon, Verma, Chandra, Ahn, Sung Hoon, Lee, Caroline Sunyong, Khare, Varsha
Published in Scientific reports (10.12.2019)
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Published in Scientific reports (10.12.2019)
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