molecular modelling

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1
Exploration of Pd-catalysed four-component tandem reaction for one-pot assembly of pyrazolo[1,5-c]quinazolines as potential EGFR inhibitors.
Ansari, Arshad J;Joshi, Gaurav;Yadav, Umesh Prasad;Maurya, Antim K;Agnihotri, Vijai K;Kalra, Sourav;...
2019 Bioorganic chemistry DOI: S0045-2068(19)30785-... 321 views
2
Engineering of Naproxen Loaded Polymer Hybrid Enteric Microspheres for Modified Release Tablets: Development, Characterization, in silico Modelling and in vivo Evaluation.
Hameed, Hajra Afeera;Khan, Shahzeb;Shahid, Muhammad;Ullah, Riaz;Bari, Ahmed;Ali, Syed Saeed;Hussain,...
2020 Drug design, development and therapy DOI: 10.2147/DDDT.S232111 321 views
3
insights into enzymatic halogenation from computational studies
;Hans Martin Senn
2014 spatium DOI: 10.3389/fchem.2014.0... 265 views
4
molecular encapsulation of histamine h2-receptor antagonists by cucurbit[7]uril: an experimental and computational study
;Hang Yin;Runmiao Wang;Jianbo Wan;Ying Zheng;Defang Ouyang;Ruibing Wang
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catalysis EGFR anticancer drug discovery pyrazolo[1,5-c]quinazolines bioavailability naproxen dissolution hybrid microspheres modified-release tablets DFT qm/mm enzymes reaction mechanisms Complexation