Revised Damping Parameters for the D3 Dispersion Correction to Density Functional Theory

by Smith, Daniel G. A, Burns, Lori A, Patkowski, Konrad, Sherrill, C. David
Published in The journal of physical chemistry letters

Defining an essential transcription factor program for naïve pluripotency

by Dunn, S.-J., Martello, G., Yordanov, B., Emmott, S., Smith, A. G.
Published in Science (American Association for the Advancement of Science)

PES-Learn: An Open-Source Software Package for the Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces

by 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

MBX: A many-body energy and force calculator for data-driven many-body simulations

by 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

Assessment of fludarabine plus cyclophosphamide for patients with chronic lymphocytic leukaemia (the LRF CLL4 Trial): a randomised controlled trial

by Catovsky, D, Prof, Richards, S, DPhil, Matutes, E, FRCPath, Oscier, D, FRCP, Dyer, MJS, Prof, Bezares, RF, MD, Pettitt, AR, Prof, Hamblin, T, Prof, Milligan, DW, FRCP, Child, JA, Prof, Hamilton, MS, FRCP, Dearden, CE, FRCP, Smith, AG, FRCP, Bosanquet, AG, PhD, Davis, Z, MSc, Brito-Babapulle, V, PhD, Else, M, MSc, Wade, R, MSc, Hillmen, P, FRCP
Published in The Lancet (British edition)

EMBRYO-DERIVED STEM CELLS: Of Mice and Men

by Smith, Austin G
Published in Annual review of cell and developmental biology

Search for a Higgs Portal Scalar Decaying to Electron-Positron Pairs in the MicroBooNE Detector

by Abratenko, P., An, R., Anthony, J., Barnes, C., Barr, G., Basque, V., Bathe-Peters, L., Berkman, S., Bhat, A., Blake, A., Caro Terrazas, I., Castillo Fernandez, R., Chen, Y., Dennis, S. R., Dorrill, R., Duffy, K., Dytman, S., Evans, J. J., Fine, R., Fleming, B. T., Franco, D., Furmanski, A. P., Gollapinni, S., Gramellini, E., Greenlee, H., Gu, W., Guenette, R., Guzowski, P., Hagaman, L., Hall, E., Hourlier, A., Itay, R., James, C., Jiang, L., Johnson, R. A., Kamp, N., Ketchum, W., Kirby, M., Kreslo, I., LaZur, R., Li, K., Li, Y., Lin, K., Louis, W. C., Luo, X., Manivannan, K., Marsden, D., Martinez Caicedo, D. A., Mastbaum, A., Mills, J., Mogan, A., Mohayai, T., Moon, J., Mooney, M., Moor, A. F., Mora Lepin, L., Mousseau, J., Murphy, M., Navrer-Agasson, A., Nowak, J., Nunes, M., Palamara, O., Paolone, V., Papavassiliou, V., Ponce-Pinto, I. D., Prince, S., Qian, X., Radeka, V., Rafique, A., Reggiani-Guzzo, M., Rice, L. C. J., Rochester, L., Rodriguez Rondon, J., Rogers, H. E., Rosenberg, M., Scanavini, G., Schmitz, D. W., Schukraft, A., Seligman, W., Shaevitz, M. H., Sharankova, R., Shi, J., Siegel, H., Sinclair, J., Smith, A., Snider, E. L., Soderberg, M., Söldner-Rembold, S., Spentzouris, P., Stancari, M., Strauss, T., Sutton, K., Terao, K., Usher, T., Williams, Z., Wongjirad, T., Wospakrik, M., Wu, W., Yang, T., Zhang, C.
Published in Physical review letters

Fibroblast Biomarkers of Sporadic Parkinson’s Disease and LRRK2 Kinase Inhibition

by Smith, G. A., Jansson, J., Rocha, E. M., Osborn, T., Hallett, P. J., Isacson, O.
Published in Molecular neurobiology

Local production and activation of complement up-regulates the allostimulatory function of dendritic cells through C3a–C3aR interaction

by Peng, Qi, Li, Ke, Anderson, Katie, Farrar, Conrad A., Lu, Bao, Smith, Richard A.G., Sacks, Steven H., Zhou, Wuding
Published in Blood

Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability

by 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

The BioFragment Database (BFDb): An open-data platform for computational chemistry analysis of noncovalent interactions

by Burns, Lori A., Faver, John C., Zheng, Zheng, Marshall, Michael S., Smith, Daniel G. A., Vanommeslaeghe, Kenno, MacKerell, Alexander D., Merz, Kenneth M., Sherrill, C. David
Published in The Journal of chemical physics

C1 esterase inhibitor reduces lower extremity ischemia/reperfusion injury and associated lung damage

by Duehrkop, Claudia, Banz, Yara, Spirig, Rolf, Miescher, Sylvia, Nolte, Marc W, Spycher, Martin, Smith, Richard A G, Sacks, Steven H, Rieben, Robert
Published in PloS one

Pathological fractures in paediatric patients with inflammatory bowel disease

by Wong, Sze Choong, Catto-Smith, A. G. Anthony, Zacharin, Margaret
Published in European journal of pediatrics

The effects of laminarin derived from Laminaria digitata on measurements of gut health: selected bacterial populations, intestinal fermentation, mucin gene expression and cytokine...

by Smith, A. G., O'Doherty, J. V., Reilly, P., Ryan, M. T., Bahar, B., Sweeney, T.
Published in British journal of nutrition

Survival from childhood acute lymphoblastic leukaemia: the impact of social inequality in the United Kingdom

by Lightfoot, T.J, Johnston, W.T, Simpson, J, Smith, A.G, Ansell, P, Crouch, S, Roman, E, Kinsey, S.E
Published in European journal of cancer (1990)

The Anglo-Australian Observatory 2dF facility

by Lewis, I. J., Cannon, R. D., Taylor, K., Glazebrook, K., Bailey, J. A., Baldry, I. K., Barton, J. R., Bridges, T. J., Dalton, G. B., Farrell, T. J., Gray, P. M., Lankshear, A., McCowage, C., Parry, I. R., Sharples, R. M., Shortridge, K., Smith, G. A., Stevenson, J., Straede, J. O., Waller, L. G., Whittard, J. D., Wilcox, J. K., Willis, K. C.
Published in Monthly notices of the Royal Astronomical Society

Development and Benchmarking of Open Force Field v1.0.0the Parsley Small-Molecule Force Field

by 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

OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy

by Christensen, Anders S., Sirumalla, Sai Krishna, Qiao, Zhuoran, O’Connor, Michael B., Smith, Daniel G. A., Ding, Feizhi, Bygrave, Peter J., Anandkumar, Animashree, Welborn, Matthew, Manby, Frederick R., Miller, Thomas F.
Published in The Journal of chemical physics

Implementation of symmetry-adapted perturbation theory based on density functional theory and using hybrid exchange–correlation kernels for dispersion terms

by Xie, Yi, Smith, Daniel G. A., Sherrill, C. David
Published in The Journal of chemical physics

Cdk12 maintains the integrity of adult axons by suppressing actin remodeling

by Townsend, L N, Clarke, H, Maddison, D, Jones, K M, Amadio, L, Jefferson, A, Chughtai, U, Bis, D M, Züchner, S, Allen, N D, Van der Goes van Naters, W, Peters, O M, Smith, G A
Published in Cell death discovery