Results 91 to 100 of about 12,796,570 (330)

OpenMolcas: From source code to insight.

Journal of Chemical Theory and Computation, 2019
In this article we describe the OpenMolcas environment and invite the computational chemistry community to collaborate. The open-source project already includes a large number of new developments realized during the transition from the commercial MOLCAS ...
Ignacio Fernández Galván, M. Vacher, A. Alavi, C. Angeli, F. Aquilante, J. Autschbach, J. J. Bao, S. I. Bokarev, N. Bogdanov, Rebecca K. Carlson, L. Chibotaru, J. Creutzberg, N. Dattani, Mickaël G. Delcey, Sijia S. Dong, A. Dreuw, Leon Freitag, L. Frutos, L. Gagliardi, F. Gendron, A. Giussani, L. González, Gilbert Grell, Meiyuan Guo, Chad E. Hoyer, M. Johansson, Sebastian Keller, S. Knecht, G. Kovačević, E. Källman, G. Li Manni, M. Lundberg, Yingjin Ma, S. Mai, J. P. Malhado, P. Malmqvist, P. Marquetand, Stefanie A. Mewes, J. Norell, M. Olivucci, M. Oppel, Q. Phung, K. Pierloot, F. Plasser, M. Reiher, A. Sand, I. Schapiro, Prachi Sharma, Christopher J. Stein, L. Sørensen, D. Truhlar, Mihkel Ugandi, L. Ungur, A. Valentini, S. Vancoillie, V. Veryazov, O. Weser, T. Wesołowski, Per-Olof Widmark, S. Wouters, Alexander Zech, J. Zobel, R. Lindh   +62 more
semanticscholar   +1 more source

Structural biology of ferritin nanocages

FEBS Letters, EarlyView.
Ferritin is a conserved iron‐storage protein that sequesters iron as a ferric mineral core within a nanocage, protecting cells from oxidative damage and maintaining iron homeostasis. This review discusses ferritin biology, structure, and function, and highlights recent cryo‐EM studies revealing mechanisms of ferritinophagy, cellular iron uptake, and ...
Eloise Mastrangelo, Flavio Di Pisa
wiley   +1 more source

Big Coding Data: Analysis, Insights, and Applications

IEEE Access
In recent years, there has been a notable surge in the generation of coding data on various platforms, including programming competitions and educational institutions.
Md. Mostafizer Rahman, Atsushi Shirafuji, Yutaka Watanobe   +2 more
doaj   +1 more source

A Lightweight Assisted Vulnerability Discovery Method Using Deep Neural Networks

IEEE Access, 2019
Thousands of vulnerabilities are discovered in programs every day, which is extremely harmful to software security. Thus, discovering vulnerabilities in projects has become a central issue.
Runhao Li, Chao Feng, Xing Zhang, Chaojing Tang   +3 more
doaj   +1 more source

ORB-SLAM2: An Open-Source SLAM System for Monocular, Stereo, and RGB-D Cameras [PDF]

IEEE Transactions on robotics, 2016
We present ORB-SLAM2, a complete simultaneous localization and mapping (SLAM) system for monocular, stereo and RGB-D cameras, including map reuse, loop closing, and relocalization capabilities. The system works in real time on standard central processing
Raul Mur-Artal, J. D. Tardós
semanticscholar   +1 more source

Tau acetylation at K331 has limited impact on tau pathology in vivo

FEBS Letters, EarlyView.
We mapped tau post‐translational modifications in humanized MAPT knock‐in mice and in amyloid‐bearing double knock‐in mice. Acetylation within the repeat domain, particularly around K331, showed modest increases under amyloid pathology. To test functional relevance, we generated MAPTK331Q knock‐in mice.
Shoko Hashimoto, Yukio Matsuba, Mika Takahashi, Takaomi C. Saido   +3 more
wiley   +1 more source

How to do things with code: An analytical framework for linguistic inquiry into programming environments [PDF]

Training, Language and Culture
Research on programming practice gives sustained analytical attention to source code and the written materials that accompany it, including comments, documentation, issue reports, and discussion threads.
Elizaveta G. Grishechko
doaj   +1 more source

Automatic Source Code Summarization with Extended Tree-LSTM [PDF]

IEEE International Joint Conference on Neural Network, 2019
Neural machine translation models are used to automatically generate a document from given source code since this can be regarded as a machine translation task.
Yusuke Shido, Yasuaki Kobayashi, Akihiro Yamamoto, A. Miyamoto, Tadayuki Matsumura   +4 more
semanticscholar   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system

FEBS Letters, EarlyView.
Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley   +1 more source