Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
Parrish, Robert M, Burns, Lori A, Smith, Daniel G. A, Simmonett, Andrew C, DePrince, A. Eugene, Hohenstein, Edward G, Bozkaya, Uğur, Sokolov, Alexander Yu, Di Remigio, Roberto, Richard, Ryan M, Gonthier, Jérôme F, James, Andrew M, McAlexander, Harley R, Kumar, Ashutosh, Saitow, Masaaki, Wang, Xiao, Pritchard, Benjamin P, Verma, Prakash, Schaefer, Henry F, Patkowski, Konrad, King, Rollin A, Valeev, Edward F, Evangelista, Francesco A, Turney, Justin M, Crawford, T. Daniel, Sherrill, C. David
Published in Journal of chemical theory and computation (11.07.2017)
Published in Journal of chemical theory and computation (11.07.2017)
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Journal Article
MBX: A many-body energy and force calculator for data-driven many-body simulations
Riera, Marc, Knight, Christopher, Bull-Vulpe, Ethan F, Zhu, Xuanyu, Agnew, Henry, Smith, Daniel G A, Simmonett, Andrew C, Paesani, Francesco
Published in The Journal of chemical physics (07.08.2023)
Published in The Journal of chemical physics (07.08.2023)
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Journal Article
The Role of Melanin in Fungal Pathogenesis for Animal Hosts
Smith, Daniel F Q, Casadevall, Arturo
Published in Current topics in microbiology and immunology (01.01.2019)
Published in Current topics in microbiology and immunology (01.01.2019)
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Journal Article
Development and Benchmarking of Open Force Field v1.0.0the Parsley Small-Molecule Force Field
Qiu, Yudong, Smith, Daniel G. A, Boothroyd, Simon, Jang, Hyesu, Hahn, David F, Wagner, Jeffrey, Bannan, Caitlin C, Gokey, Trevor, Lim, Victoria T, Stern, Chaya D, Rizzi, Andrea, Tjanaka, Bryon, Tresadern, Gary, Lucas, Xavier, Shirts, Michael R, Gilson, Michael K, Chodera, John D, Bayly, Christopher I, Mobley, David L, Wang, Lee-Ping
Published in Journal of chemical theory and computation (12.10.2021)
Published in Journal of chemical theory and computation (12.10.2021)
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Journal Article
Glyphosate inhibits melanization and increases susceptibility to infection in insects
Smith, Daniel F Q, Camacho, Emma, Thakur, Raviraj, Barron, Alexander J, Dong, Yuemei, Dimopoulos, George, Broderick, Nichole A, Casadevall, Arturo
Published in PLoS biology (12.05.2021)
Published in PLoS biology (12.05.2021)
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Journal Article
Genome-wide association study of multisite chronic pain in UK Biobank
Johnston, Keira J A, Adams, Mark J, Nicholl, Barbara I, Ward, Joey, Strawbridge, Rona J, Ferguson, Amy, McIntosh, Andrew M, Bailey, Mark E S, Smith, Daniel J
Published in PLoS genetics (13.06.2019)
Published in PLoS genetics (13.06.2019)
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Journal Article
Sensitivity to light in bipolar disorder: implications for research and clinical practice
Roguski, Amber, Ritter, Philipp, Smith, Daniel J.
Published in British journal of psychiatry (01.05.2024)
Published in British journal of psychiatry (01.05.2024)
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Journal Article
Prevalence and characteristics of probable major depression and bipolar disorder within UK biobank: cross-sectional study of 172,751 participants
Smith, Daniel J, Nicholl, Barbara I, Cullen, Breda, Martin, Daniel, Ul-Haq, Zia, Evans, Jonathan, Gill, Jason M R, Roberts, Beverly, Gallacher, John, Mackay, Daniel, Hotopf, Matthew, Deary, Ian, Craddock, Nick, Pell, Jill P
Published in PloS one (25.11.2013)
Published in PloS one (25.11.2013)
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Journal Article
PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
Abbott, Adam S, Turney, Justin M, Zhang, Boyi, Smith, Daniel G. A, Altarawy, Doaa, Schaefer, Henry F
Published in Journal of chemical theory and computation (13.08.2019)
Published in Journal of chemical theory and computation (13.08.2019)
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