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Mutant anaplastic lymphoma kinase inhibitor identification by integrated in silico approaches
Mutant anaplastic lymphoma kinase inhibitor identification by integrated in silico approaches
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Mutant anaplastic lymphoma kinase inhibitor identification by integrated in silico approaches

Ahmad, Nadeem ; Ali Khan, Salman ; Sardar, Madiha ; Mushtaq, Mamona ; Siddiqui, Ali Raza ; Munsif, Sajida ; Nur-e-Alam, Mohammad ; Nerukh, Dmitry ; Ul-Haq, Zaheer

Molecular simulation, 2024-03, Vol.50 (5), p.404-419 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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Rational design of potent anti-COVID-19 main protease drugs: An extensive multi-spectrum in silico approach
Rational design of potent anti-COVID-19 main protease drugs: An extensive multi-spectrum in silico approach
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Rational design of potent anti-COVID-19 main protease drugs: An extensive multi-spectrum in silico approach

Ahmad, Sajjad ; Waheed, Yasir ; Ismail, Saba ; Najmi, Muzammil Hasan ; Ansari, Jawad Khaliq

Journal of molecular liquids, 2021-05, Vol.330, p.115636-115636, Article 115636 [Periódico revisado por pares]

Netherlands: Elsevier B.V

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Magnetodielectric Material Characterization Using Stepped Impedance Resonators
Magnetodielectric Material Characterization Using Stepped Impedance Resonators
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Magnetodielectric Material Characterization Using Stepped Impedance Resonators

Alharbi, Fares T. ; Haq, Mahmoodul ; Udpa, Lalita ; Deng, Yiming

IEEE sensors journal, 2023-02, Vol.23 (3), p.1-1 [Periódico revisado por pares]

New York: IEEE

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4
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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5
Tensile properties of pillared graphene block
Tensile properties of pillared graphene block
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Tensile properties of pillared graphene block

Amiri, Hesam ; Aghazadeh Mohandesi, Jamshid ; Marashi, Pirooz

Materials science & engineering. B, Solid-state materials for advanced technology, 2020-07, Vol.257, p.114557, Article 114557 [Periódico revisado por pares]

Lausanne: Elsevier B.V

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Pump and probe analysis of metal cluster dynamics
Pump and probe analysis of metal cluster dynamics
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Pump and probe analysis of metal cluster dynamics

Andrae, K. ; Dinh, P.M. ; Reinhard, P.-G. ; Suraud, E.

Computational materials science, 2006-03, Vol.35 (3), p.169-173 [Periódico revisado por pares]

Amsterdam: Elsevier B.V

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Mechanistic insight into the binding between Ferritin and Serotonin: Possible implications in neurodegenerative diseases
Mechanistic insight into the binding between Ferritin and Serotonin: Possible implications in neurodegenerative diseases
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Mechanistic insight into the binding between Ferritin and Serotonin: Possible implications in neurodegenerative diseases

Anjum, Farah ; Shahwan, Moyad ; Alhumaydhi, Fahad A. ; Sharaf, Sharaf E. ; Al Abdulmonem, Waleed ; Shafie, Alaa ; Bilgrami, Anwar L. ; Shamsi, Anas ; Md Ashraf, Ghulam

Journal of molecular liquids, 2022-04, Vol.351, p.118618, Article 118618 [Periódico revisado por pares]

Elsevier B.V

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Investigating the binding affinities of fructose and galactose to human serum albumin: simulation studies
Investigating the binding affinities of fructose and galactose to human serum albumin: simulation studies
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Investigating the binding affinities of fructose and galactose to human serum albumin: simulation studies

Awang, Tadsanee ; Niramitranon, Jitti ; Japrung, Deanpen ; Saparpakorn, Patchreenart ; Pongprayoon, Prapasiri

Molecular simulation, 2021-06, Vol.47 (9), p.738-747 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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9
Induced fit docking, free energy calculation and molecular dynamics studies on Mycobacterium tuberculosis alanine racemase inhibitor
Induced fit docking, free energy calculation and molecular dynamics studies on Mycobacterium tuberculosis alanine racemase inhibitor
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Induced fit docking, free energy calculation and molecular dynamics studies on Mycobacterium tuberculosis alanine racemase inhibitor

Azam, Mohammed Afzal ; Jayaram, Unni

Molecular simulation, 2018-03, Vol.44 (5), p.424-432 [Periódico revisado por pares]

Abingdon: Taylor & Francis

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10
Analytical first derivatives of the RE-squared interaction potential
Analytical first derivatives of the RE-squared interaction potential
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Analytical first derivatives of the RE-squared interaction potential

Babadi, M. ; Ejtehadi, M.R. ; Everaers, R.

Journal of computational physics, 2006-12, Vol.219 (2), p.770-779 [Periódico revisado por pares]

Amsterdam: Elsevier Inc

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