molecular dynamics simulation

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1
Novel Carbazole-Piperazine Hybrid Small Molecule Induces Apoptosis by Targeting BCL-2 and Inhibits Tumor Progression in Lung Adenocarcinoma in Vitro and Xenograft Mice Model.
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2019 Cancers DOI: E1245 244 views
2
Ligand-dependent intra- and inter-domain motions in the PDZ12 tandem regulate binding interfaces in postsynaptic density protein-95.
Kovács, Bertalan;Zajácz-Epresi, Nóra;Gáspári, Zoltán;
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Alignment independent 3D-QSAR studies and molecular dynamics simulations for the identification of potent and selective S1P receptor agonists.
Alizadeh, Ali Akbar;Jafari, Behzad;Dastmalchi, Siavoush;
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Molecular Characterization of Aquaglyceroporine: A Novel Mutation in from (MRHO/IR/75/ER).
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A minimal Tersoff potential for diamond silicon with improved descriptions of elastic and phonon transport properties.
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6
Probing the interaction of Rivastigmine Tartrate, an important Alzheimer's drug, with serum albumin: Attempting treatment of Alzheimer's disease.
Shamsi, Anas;Mohammad, Taj;Anwar, Saleha;Alajmi, Mohamed F;Hussain, Afzal;Hassan, Md Imtaiyaz;Ahmad,...
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Cardiopulmonary Bypass: How I Teach It.
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8
Characterisation of a catalytic triad and reaction selectivity in the dual mechanism of the catalyse hydride transfer in xylitol phosphate dehydrogenase.
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2020 journal of molecular graphics & modelling DOI: S1093-3263(19)30799-... 206 views
9
Effectiveness of comprehensive hand hygiene module on pre-school childrens' practices after intervention in Klang Valley, Malaysia.
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10
A hybrid approach using entropy and TOPSIS to select key drivers for a successful and sustainable lean construction implementation.
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11
A low power and low ripple CMOS high voltage generator for RFID transponder EEPROM.
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2020 PloS one DOI: 10.1371/journal.pone... 235 views
12
Machinability and Surface Generation of PdNiCuP Bulk Metallic Glass in Single-Point Diamond Turning.
Xiong, Jie;Wang, Hao;Zhang, Guoqing;Chen, Yanbing;Ma, Jiang;Mo, Ruodong;
2019 micromachines DOI: E4 227 views
13
Potential tripeptides against the tyrosine kinase domain of human epidermal growth factor receptor (HER) 2 through computational and kinase assay approaches.
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2020 journal of molecular graphics & modelling DOI: S1093-3263(19)30580-... 209 views
14
Understanding the anticorrosive mechanism of a cross-linked supramolecular polymer for mild steel in the condensate water: comprehensive experimental, molecular docking, and molecular dynamics investigations.
Ma, Yucong;Zhou, Tingting;Zhu, Wenqin;Fan, Baomin;Liu, Hao;Fan, Guifeng;Hao, Hua;Sun, Hui;Yang, Biao...
2020 journal of molecular modeling DOI: 10.1007/s00894-020-4... 262 views
15
The Healthcare Professionals' Perspective on Impact and Actions Taken Following Severe Infusion Reaction Events in Oncology Centers in Europe.
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16
chemoinformatics in the new era: from molecular dynamics to systems dynamics
;Guanyu Wang
2016 Journal of ethnopharmacology DOI: 10.3390/molecules210... 127 views
17
solubilization behavior of polyene antibiotics in nanomicellar system: insights from molecular dynamics simulation of the amphotericin b and nystatin interactions with polysorbate 80
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2015 Journal of ethnopharmacology DOI: 10.3390/molecules210... 241 views
18
Functional plasticity and evolutionary adaptation of allosteric regulation.
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2020 Proceedings of the National Academy of Sciences of... DOI: 10.1073/pnas.2002613... 150 views
19
molecular dynamics simulations to investigate the binding mode of the natural product liphagal with phosphoinositide 3-kinase α
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2016 Journal of ethnopharmacology DOI: 10.3390/molecules210... 161 views
20
computational insight into the structural organization of full-length toll-like receptor 4 dimer in a model phospholipid bilayer
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2018 sudebno-meditsinskaia ekspertiza DOI: 10.3389/fimmu.2018.0... 247 views

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