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Atomic physics

Evaluation of dihydropyranocoumarins as potent inhibitors against triple-negative breast cancer: An integrated of in silico, quantum & molecular modeling approaches

Abu Yousuf Hossin, Md Naziur Rahman, Md Mahabub Hasan, Ansarul Karim, Shyikh Ahmed Alif, Naziat Nayel Arshi, Shammi Jahan, Ajoy Kumer

published 03 Dec 2025

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The impact of spaced learning within physics lessons in secondary schools

Yuxi Zhou, Rachel Hartley, Alessio Bernardelli, Andrew Tolmie

published 16 Apr 2025

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BAOS-CNN: A novel deep neuroevolution algorithm for multispecies seagrass detection

Md Kislu Noman, Syed Mohammed Shamsul Islam, Seyed Mohammad Jafar Jalali, Jumana Abu-Khalaf, Paul Lavery

published 25 Jun 2024

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Device performances analysis of p-type doped silicene-based field effect transistor using SPICE-compatible model

Mu Wen Chuan, Munawar Agus Riyadi, Afiq Hamzah, Nurul Ezaila Alias, Suhana Mohamed Sultan, Cheng Siong Lim, Michael Loong Peng Tan

published 03 Mar 2022

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Gap variability upon packing in organic photovoltaics

D. López-Durán, Etienne Plésiat, Michal Krompiec, Emilio Artacho

published 16 Jun 2020

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Structural and molecular basis of angiotensin-converting enzyme by computational modeling: Insights into the mechanisms of different inhibitors

Li Fang, Mingxian Geng, Chunlei Liu, Ji Wang, Weihong Min, Jingsheng Liu

published 18 Apr 2019

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Data-driven coarse graining of large biomolecular structures

Yi-Ling Chen, Michael Habeck

published 17 Aug 2017

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Atomistic modeling of alternating access of a mitochondrial ADP/ATP membrane transporter with molecular simulations

Koichi Tamura, Shigehiko Hayashi

published 20 Jul 2017

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Identification and characterization of a neutralizing monoclonal antibody that provides complete protection against Yersinia pestis

Weicen Liu, Jun Ren, Jinlong Zhang, Xiaohong Song, Shuling Liu, Xiangyang Chi, Yi Chen, Zhonghua Wen, Jianmin Li, Wei Chen

published 09 May 2017

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Solid state characterization and theoretical study of non-linear optical properties of a Fluoro-N-Acylhydrazide derivative

Rosemberg F. N. Rodrigues, Leonardo R. Almeida, Florisberto G. dos Santos, Paulo S. Carvalho Jr, Wanderson C. de Souza, Kleber S. Moreira, Gilberto L. B. de Aquino, Clodoaldo Valverde, Hamilton B. Napolitano, Basílio Baseia

published 24 Apr 2017

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Physicochemical and Nonlinear Optical Properties of Novel Environmentally Benign Heterocyclic Azomethine Dyes: Experimental and Theoretical Studies

S. M. Afzal, M. A. N. Razvi, Salman A. Khan, Osman I. Osman, Ahmed H. Bakry, Abdullah M. Asiri

published 15 Sep 2016

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Antioxidant Activities of 4-Methylumbelliferone Derivatives

Yasameen K. Al-Majedy, Ahmed A. Al-Amiery, Abdul Amir H. Kadhum, Abu Bakar Mohamad

published 31 May 2016

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Parameters for the RM1 Quantum Chemical Calculation of Complexes of the Trications of Thulium, Ytterbium and Lutetium

Manoel A. M. Filho, José Diogo L. Dutra, Gerd B. Rocha, Alfredo M. Simas, Ricardo O. Freire

published 25 May 2016

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