Lipid21: Complex Lipid Membrane Simulations with AMBER
Dickson, Callum J, Walker, Ross C, Gould, Ian R
Published in Journal of chemical theory and computation (08.03.2022)
Published in Journal of chemical theory and computation (08.03.2022)
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Journal Article
Large-Scale Distributed Training of Transformers for Chemical Fingerprinting
Abdel-Aty, Hisham, Gould, Ian R.
Published in Journal of chemical information and modeling (24.10.2022)
Published in Journal of chemical information and modeling (24.10.2022)
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Journal Article
Biological and Biomedical Applications of Two-Dimensional Vibrational Spectroscopy: Proteomics, Imaging, and Structural Analysis
Fournier, Frederic, Guo, Rui, Gardner, Elizabeth M, Donaldson, Paul M, Loeffeld, Christian, Gould, Ian R, Willison, Keith R, Klug, David R
Published in Accounts of chemical research (15.09.2009)
Published in Accounts of chemical research (15.09.2009)
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Journal Article
Lipid14: The Amber Lipid Force Field
Dickson, Callum J, Madej, Benjamin D, Skjevik, Åge A, Betz, Robin M, Teigen, Knut, Gould, Ian R, Walker, Ross C
Published in Journal of chemical theory and computation (11.02.2014)
Published in Journal of chemical theory and computation (11.02.2014)
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Journal Article
A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules
Cornell, Wendy D, Cieplak, Piotr, Bayly, Christopher I, Gould, Ian R, Merz, Kenneth M, Ferguson, David M, Spellmeyer, David C, Fox, Thomas, Caldwell, James W, Kollman, Peter A
Published in Journal of the American Chemical Society (01.05.1995)
Published in Journal of the American Chemical Society (01.05.1995)
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Journal Article
Kinetics of Reductive N−O Bond Fragmentation: The Role of a Conical Intersection
Lorance, Edward D, Kramer, Wolfgang H, Gould, Ian R
Published in Journal of the American Chemical Society (25.12.2002)
Published in Journal of the American Chemical Society (25.12.2002)
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Journal Article
Two-Electron Sensitization: A New Concept for Silver Halide Photography
Gould, Ian R, Lenhard, Jerome R, Muenter, Annabel A, Godleski, Stephen A, Farid, Samir
Published in Journal of the American Chemical Society (06.12.2000)
Published in Journal of the American Chemical Society (06.12.2000)
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Journal Article
Reversible Electrochemical Trapping of Carbon Dioxide Using 4,4′-Bipyridine That Does Not Require Thermal Activation
Ranjan, Rajeev, Olson, Jarred, Singh, Poonam, Lorance, Edward D, Buttry, Daniel A, Gould, Ian R
Published in The journal of physical chemistry letters (17.12.2015)
Published in The journal of physical chemistry letters (17.12.2015)
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Journal Article
Mechanism of Photoinduced Triplet Intermolecular Hydrogen Transfer between Cycloxydim and Chlorothalonil
Yuan, Qi, Toroz, Dimitrios, Kidley, Nathan, Gould, Ian R
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.05.2018)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (03.05.2018)
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Journal Article
Organic Oxidations Using Geomimicry
Yang, Ziming, Hartnett, Hilairy E, Shock, Everett L, Gould, Ian R
Published in Journal of organic chemistry (18.12.2015)
Published in Journal of organic chemistry (18.12.2015)
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Journal Article
A Curve-Crossing Model for Oxidative Decarboxylation. Kinetics of Anilino Carboxylate Fragmentations
Gould, Ian R, Lenhard, Jerome R, Farid, Samir
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.12.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (16.12.2004)
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Journal Article