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A comparative study of integrase-binding domain of homologous HRP2 and LEDGF/p75 protein: from sequence to structural characterisation
A comparative study of integrase-binding domain of homologous HRP2 and LEDGF/p75 protein: from sequence to structural characterisation
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A comparative study of integrase-binding domain of homologous HRP2 and LEDGF/p75 protein: from sequence to structural characterisation

Kumar, Rajender ; Sharma, Mahesh ; Shaikh, Naeem ; Garg, Prabha

Molecular simulation, 2015-05, Vol.41 (8), p.683-690 [Periódico revisado por pares]

Taylor & Francis

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2
A computational study of binding between 3-(4-fluorophenyl)-N-((4-fluorophenyl)sulphonyl)acrylamide and tubulin
A computational study of binding between 3-(4-fluorophenyl)-N-((4-fluorophenyl)sulphonyl)acrylamide and tubulin
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A computational study of binding between 3-(4-fluorophenyl)-N-((4-fluorophenyl)sulphonyl)acrylamide and tubulin

Liao, Si-Yan ; Chen, Jin-Can ; Mo, Guang-Quan ; Zhang, Chao ; Zheng, Kang-Cheng

Molecular simulation, 2015-03, Vol.41 (4), p.356-364 [Periódico revisado por pares]

Taylor & Francis

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3
Adsorption and corrosion inhibition performance of two planar rigid pyridinecarboxaldehyde-based double Schiff bases for mild steel in HCl solution: Experimental and computational investigations
Adsorption and corrosion inhibition performance of two planar rigid pyridinecarboxaldehyde-based double Schiff bases for mild steel in HCl solution: Experimental and computational investigations
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Adsorption and corrosion inhibition performance of two planar rigid pyridinecarboxaldehyde-based double Schiff bases for mild steel in HCl solution: Experimental and computational investigations

Li, Xiao-Long ; Xie, Bin ; Lai, Chuan ; Feng, Jian-Shen ; Liu, Xiao-Qiang ; Chen, Luo ; Yang, Yu-Geng ; Ji, Run-Wu ; He, Jia-Yu ; Li, Wei ; Liu, Meng-Nan

Journal of molecular liquids, 2022-06, Vol.355, p.118926, Article 118926 [Periódico revisado por pares]

Elsevier B.V

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4
Adsorption of Naphthalene on Clay Minerals: A Molecular Dynamics Simulation Study
Adsorption of Naphthalene on Clay Minerals: A Molecular Dynamics Simulation Study
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Adsorption of Naphthalene on Clay Minerals: A Molecular Dynamics Simulation Study

Chen, Zhixin ; Hu, Liming

Materials, 2022-07, Vol.15 (15), p.5120 [Periódico revisado por pares]

Basel: MDPI AG

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5
Ammonia Adsorption on SiC Nanotubes: A Density Functional Theory Investigation
Ammonia Adsorption on SiC Nanotubes: A Density Functional Theory Investigation
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Ammonia Adsorption on SiC Nanotubes: A Density Functional Theory Investigation

Ganji, M. D. ; Seyed-aghaei, N. ; Taghavi, M. M. ; Rezvani, M. ; Kazempour, F.

Fullerenes, nanotubes, and carbon nanostructures, 2011-05, Vol.19 (4), p.289-299 [Periódico revisado por pares]

Philadelphia, PA: Taylor & Francis Group

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6
Brefeldin A variant via combinatorial screening acts as an effective antagonist inducing structural modification in EPAC2
Brefeldin A variant via combinatorial screening acts as an effective antagonist inducing structural modification in EPAC2
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Brefeldin A variant via combinatorial screening acts as an effective antagonist inducing structural modification in EPAC2

Uttarkar, Akshay ; Niranjan, Vidya

Molecular simulation, 2022-11, Vol.48 (17), p.1592-1603 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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7
Can trimethylamine-N-oxide act to influence the self-aggregation of tert-butyl alcohol?
Can trimethylamine-N-oxide act to influence the self-aggregation of tert-butyl alcohol?
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Can trimethylamine-N-oxide act to influence the self-aggregation of tert-butyl alcohol?

Paul, Sandip

Molecular physics, 2016-07, Vol.114 (13), p.2098-2107 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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8
Characterization of Bitumen Micro-Mechanical Behaviors Using AFM, Phase Dynamics Theory and MD Simulation
Characterization of Bitumen Micro-Mechanical Behaviors Using AFM, Phase Dynamics Theory and MD Simulation
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Characterization of Bitumen Micro-Mechanical Behaviors Using AFM, Phase Dynamics Theory and MD Simulation

Hou, Yue ; Wang, Linbing ; Wang, Dawei ; Guo, Meng ; Liu, Pengfei ; Yu, Jianxin

Materials, 2017-02, Vol.10 (2), p.208 [Periódico revisado por pares]

Switzerland: MDPI AG

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9
Charge Transfer at Junctions of a Single Layer of Graphene and a Metallic Single Walled Carbon Nanotube
Charge Transfer at Junctions of a Single Layer of Graphene and a Metallic Single Walled Carbon Nanotube
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Charge Transfer at Junctions of a Single Layer of Graphene and a Metallic Single Walled Carbon Nanotube

Paulus, Geraldine L. C. ; Wang, Qing Hua ; Ulissi, Zachary W. ; McNicholas, Thomas P. ; Vijayaraghavan, Aravind ; Shih, Chih-Jen ; Jin, Zhong ; Strano, Michael S.

Small (Weinheim an der Bergstrasse, Germany), 2013-06, Vol.9 (11), p.1954-1963 [Periódico revisado por pares]

Weinheim: WILEY-VCH Verlag

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10
Comparison of irreversible inhibition targeting HSP72 protein: the resurgence of covalent drug developments
Comparison of irreversible inhibition targeting HSP72 protein: the resurgence of covalent drug developments
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Comparison of irreversible inhibition targeting HSP72 protein: the resurgence of covalent drug developments

Aljoundi, Aimen ; El Rashedy, Ahmed ; Soliman, Mahmoud E. S.

Molecular simulation, 2021-09, Vol.47 (13), p.1093-1103 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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