Is Part Of: Molecular simulation. Volume 45:Issue 18(2019) - British Library Electronic Legal Deposit Catalogue-Journal Issues and Articles Search Results

Is Part Of Molecular simulation. Volume 45:Issue 18(2019)

1. Anticorrosion mechanism of Cr-doped nickel-base alloy in Br/O environment: a DFT study. Issue 18 (12th December 2019)

Authors:: Li, Jiyong; Zhao, Junqiao; Shao, Hongyun; Zhang, Yunzhi; Dong, Hao; Xia, Lingran; Hu, Songqing
Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: 1506
Record Type:: Journal Article
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2. Correction. Issue 18 (12th December 2019)

Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: I
Record Type:: Journal Article
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3. Decoding the signature of molecular mechanism involved in mutation associated resistance to 1, 3-benzothiazin-4-ones (Btzs) based DprE1 inhibitors using BTZ043 as a reference drug. Issue 18 (12th December 2019)

Authors:: Verma, Himanshu; Choudhary, Shalki; Singh, Pankaj Kumar; Kashyap, Aanchal; Silakari, Om
Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: 1515
Record Type:: Journal Article
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4. Dissipative particle dynamics simulation of the soft micro actuator using polymer chain displacement in electro-osmotic flow. Issue 18 (12th December 2019)

Authors:: Zakeri, Ramin
Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: 1488
Record Type:: Journal Article
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5. Molecular dynamics study on perfect and defective graphene/calcium-silicate-hydrate composites under tensile loading. Issue 18 (12th December 2019)

Authors:: Guo, Xiaoxuan; Xin, Hao; Li, Jian; Wang, Zhihua; Li, Zhiqiang
Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: 1481
Record Type:: Journal Article
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6. Molecular mechanics and quantum chemical calculations unveil the combating effect of baicalein on human islet amyloid polypeptide aggregates. Issue 18 (12th December 2019)

Authors:: Srinivasan, E.; Ravikumar, S.; Venkataramanan, S.; Purohit, Rituraj; Rajasekaran, R.
Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: 1538
Record Type:: Journal Article
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7. Rutin as promising drug for the treatment of Parkinson's disease: an assessment of MAO-B inhibitory potential by docking, molecular dynamics and DFT studies. Issue 18 (12th December 2019)

Authors:: Azam, Faizul; Abodabos, Honiwa Suliman; Taban, Ismail M.; Rfieda, Abdalla R.; Mahmood, Danish; Anwar, Md Jamir; Khan, Shamshir; Sizochenko, Natalia; Poli, Giulio; Tuccinardi, Tiziano; Ali, Hamed I.
Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: 1563
Record Type:: Journal Article
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8. Single-crystal Al–Cu50Zr50 metallic glass cold welds: tensile and creep behaviour. Issue 18 (12th December 2019)

Authors:: Singh, Rohit; Gupta, Pradeep; Yedla, Natraj
Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: 1549
Record Type:: Journal Article
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9. Static and dynamic properties of mid-size liquid n- alkanes, C12∼C400: a molecular dynamics simulation study. Issue 18 (12th December 2019)

Authors:: Lee, Song Hi
Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: 1498
Record Type:: Journal Article
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10. Structural properties of sH hydrate: a DFT study of anisotropy and equation of state. Issue 18 (12th December 2019)

Authors:: Daghash, Shaden M.; Servio, Phillip; Rey, Alejandro D.
Journal:: Molecular simulation
Issue:: Volume 45:Issue 18(2019)
Page Start:: 1524
Record Type:: Journal Article
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