Zobrazeno 1 - 10
of 25 067
pro vyhledávání: '"Carl, C."'
Autor:
Diana V. Adetsu, Triven Koganti, Rasmus J. Petersen, Dominik Zak, Ida-Emile F. Nilsson, Carl C. Hoffman, Amélie Beucher, Mogens H. Greve
Publikováno v:
Mires and Peat, Vol 31, Iss 10, Pp 1-23 (2024)
Upon drainage, peatlands subside and release stored carbon (C) into the atmosphere. However, little is known about the magnitude of the total, physical and oxidative subsidence (TS, PS and OS) over long historical periods and the past contribution of
Externí odkaz:
https://doaj.org/article/f374341b6022450c94ec9a4ca1f1913e
Autor:
Lehner, Marc T., Katzberger, Paul, Maeder, Niels, Schiebroek, Carl C. G., Teetz, Jakob, Landrum, Gregory A., Riniker, Sereina
Publikováno v:
J. Chem. Inf. Model. 63, 6014 (2023)
We present a robust and computationally efficient approach for assigning partial charges of atoms in molecules. The method is based on a hierarchical tree constructed from attention values extracted from a graph neural network (GNN), which was traine
Externí odkaz:
http://arxiv.org/abs/2305.15981
Publikováno v:
Linear Algebra and Its Applications, 583, 46-62
Given an n by n matrix A over the complex numbers and an invariant subspace L, this paper gives a straightforward formula to construct an n by n matrix N that commutes with A and has L equal to the kernel of N. For Q a matrix putting A into Jordan ca
Externí odkaz:
http://arxiv.org/abs/2305.15375
Autor:
Kenneth Atz, Leandro Cotos, Clemens Isert, Maria Håkansson, Dorota Focht, Mattis Hilleke, David F. Nippa, Michael Iff, Jann Ledergerber, Carl C. G. Schiebroek, Valentina Romeo, Jan A. Hiss, Daniel Merk, Petra Schneider, Bernd Kuhn, Uwe Grether, Gisbert Schneider
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-18 (2024)
Abstract De novo drug design aims to generate molecules from scratch that possess specific chemical and pharmacological properties. We present a computational approach utilizing interactome-based deep learning for ligand- and structure-based generati
Externí odkaz:
https://doaj.org/article/d7bb743be1dc457aa2795efb9109d361
Autor:
Ardila, David R., Shkolnik, Evgenya, Ziemer, John, Swain, Mark, Owen, James E., Line, Michael, Loyd, R. O. Parke, Sellar, R. Glenn, Barman, Travis, Dressing, Courtney, Frazier, William, Jewell, April D., Kinsey, Robert J., Liebe, Carl C., Lothringer, Joshua D., Martinez-Sierra, Luz Maria, McGuire, James, Meadows, Victoria, Murray-Clay, Ruth, Nikzad, Shouleh, Peacock, Sarah, Schlichting, Hilke, Sing, David, Stevenson, Kevin, Wu, Yen-Hung
UV-SCOPE is a mission concept to determine the causes of atmospheric mass loss in exoplanets, investigate the mechanisms driving aerosol formation in hot Jupiters, and study the influence of the stellar environment on atmospheric evolution and habita
Externí odkaz:
http://arxiv.org/abs/2208.09547