Results 171 to 180 of about 8,517,557 (393)

Elucidating the formation of Al–NBO bonds, Al–O–Al linkages and clusters in alkaline-earth aluminosilicate glasses based on molecular dynamics simulations [PDF]

, 2019
Sudheer Ganisetti, Anuraag Gaddam, Rajesh Kumar, Sathravada Balaji, Glenn C. Mather, María J. Pascual, Margit Fábián, Renée Siegel, Jürgen Senker, В.В. Хартон, Julien Guénolé, N. M. Anoop Krishnan, J.M.F. Ferreira, Amarnath R. Allu   +13 more
openalex   +1 more source

Million-atom molecular dynamics simulations reveal the interfacial interactions and assembly of plant PSII-LHCII supercomplex

, 2023
Ruichao Mao, Han Zhang, Lihua Bie, Lu‐Ning Liu, Jun Gao   +4 more
openalex   +2 more sources

Density Scaling of Translational and Rotational Molecular Dynamics in a Simple Ellipsoidal Model near the Glass Transition [PDF]

, 2022
Karol Liszka, A. Grzybowski, Kajetan Koperwas, Marian Paluch   +3 more
openalex   +1 more source

Fast parallel algorithms for short-range molecular dynamics

, 1993
S. Plimpton
semanticscholar   +1 more source

A subset of MMR‐proficient colon cancers responds to neoadjuvant immunotherapy

Molecular Oncology, EarlyView.
Tan et al. reveal that a distinct subset of early‐stage pMMR colon cancers can respond to neoadjuvant immunotherapy. In the NICHE‐2 trial, responders (26%) were characterized by chromosomal instability, TP53 mutations, and proliferative cell‐cycle programs, whereas nonresponders showed metabolic and stromal reprogramming with TGF‐β‐driven ...
Eleonora Piumatti, Giovanni Germano, Pietro Paolo Vitiello, Alberto Bardelli   +3 more
wiley   +1 more source

Molecular dynamics with coupling to an external bath

, 1984
H. Berendsen, J. Postma, W. F. Gunsteren, A. Dinola, J. R. Haak   +4 more
semanticscholar   +1 more source

LDAcoop: Integrating non‐linear population dynamics into the analysis of clonogenic growth in vitro

Molecular Oncology, EarlyView.
Limiting dilution assays (LDAs) quantify clonogenic growth by seeding serial dilutions of cells and scoring wells for colony formation. The fraction of negative wells is plotted against cells seeded and analyzed using the non‐linear modeling of LDAcoop.
Nikko Brix, Daniel Samaga, Katharina Gehr, Benedek Dankó, Mohamed Schumann, Guido Drexler, Ahmed Alnatsha, Georg Beyer, Ujjwal Mahajan, Martin Selmansberger, Julia Mayerle, Claus Belka, Horst Zitzelsberger, Kirsten Lauber   +13 more
wiley   +1 more source

Conformer-specific Infrared spectroscopy of cationic Criegee intermediates syn- and anti-CH3CHOO+

Nature Communications
Criegee intermediates are pivotal in atmospheric chemistry, yet their cationic forms remain poorly understood. This study presents the infrared spectra of cationic Criegee intermediates, specifically syn- and anti-CH3CHOO+, using vacuum ultraviolet ...
Ende Huang, Licheng Zhong, Jingning Xue, Xiaohu Zhou, Siyue Liu, Li Che, Hongwei Li, Hongjun Fan, Wenrui Dong, Xueming Yang   +9 more
doaj   +1 more source

Modeling, Molecular Dynamics Simulation, and Mutation Validation for Structure of Cannabinoid Receptor 2 Based on Known Crystal Structures of GPCRs

, 2014
Zhiwei Feng, Mohammed H. Alqarni, Peng Yang, Qin Tong, Anandã Chowdhury, Lirong Wang, Xiang‐Qun Xie   +6 more
openalex   +1 more source

Venus trap in the mouse embryo reveals distinct molecular dynamics underlying specification of first embryonic lineages [PDF]

, 2015
Jens Erik Dietrich, Laura Panavaite, Stefan Günther, Sebastian Wennekamp, Anna C. Groner, Anton Pigge, Stefanie Salvenmoser, Didier Trono, Lars Hufnagel, Takashi Hiiragi   +9 more
openalex   +1 more source