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Refinado por: Nome da Publicação: Journal Of Biomolecular Structure & Dynamics remover nível superior: Recursos Online remover
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1
Structural elucidation of transmembrane domain zero (TMD0) of EcdL: A multidrug resistance-associated protein (MRP) family of ATP-binding cassette transporter protein revealed by atomistic simulation
Structural elucidation of transmembrane domain zero (TMD0) of EcdL: A multidrug resistance-associated protein (MRP) family of ATP-binding cassette transporter protein revealed by atomistic simulation
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Structural elucidation of transmembrane domain zero (TMD0) of EcdL: A multidrug resistance-associated protein (MRP) family of ATP-binding cassette transporter protein revealed by atomistic simulation

Bera, Krishnendu ; Rani, Priyanka ; Kishor, Gaurav ; Agarwal, Shikha ; Kumar, Antresh ; Singh, Durg Vijay

Journal of biomolecular structure & dynamics, 2018-08, Vol.36 (11), p.2938-2950 [Periódico revisado por pares]

England: Taylor & Francis

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2
Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)
Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)
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Identification and evaluation of bioactive natural products as potential inhibitors of human microtubule affinity-regulating kinase 4 (MARK4)

Mohammad, Taj ; Khan, Faez Iqbal ; Lobb, Kevin A. ; Islam, Asimul ; Ahmad, Faizan ; Hassan, Md. Imtaiyaz

Journal of biomolecular structure & dynamics, 2019-05, Vol.37 (7), p.1813-1829 [Periódico revisado por pares]

England: Taylor & Francis

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3
Design, synthesis, molecular docking, molecular dynamic simulation, and MMGBSA analysis of 7-O-substituted 5-hydroxy flavone derivatives
Design, synthesis, molecular docking, molecular dynamic simulation, and MMGBSA analysis of 7-O-substituted 5-hydroxy flavone derivatives
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Design, synthesis, molecular docking, molecular dynamic simulation, and MMGBSA analysis of 7-O-substituted 5-hydroxy flavone derivatives

Patel, Kajalben B ; Patel, Rahul V ; Ahmad, Iqrar ; Rajani, Dhanji ; Patel, Harun ; Mukherjee, Sudipta ; Kumari, Premlata

Journal of biomolecular structure & dynamics, 2023-08, p.1-15 [Periódico revisado por pares]

England

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4
Structural and thermostability insights into cellobiohydrolase of a thermophilic mould Myceliophthora thermophila: in-silico studies
Structural and thermostability insights into cellobiohydrolase of a thermophilic mould Myceliophthora thermophila: in-silico studies
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Structural and thermostability insights into cellobiohydrolase of a thermophilic mould Myceliophthora thermophila: in-silico studies

Dadwal, Anica ; Singh, Vishal ; Sharma, Shilpa ; Sahoo, Amaresh Kumar ; Satyanarayana, Tulasi

Journal of biomolecular structure & dynamics, 2023-11, Vol.41 (17), p.8373-8382 [Periódico revisado por pares]

Taylor & Francis

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5
Synthesis, biological profile and computational insights of new derivatives of benzo [B][1,4] diazepines as prospective anticancer agents for inhibiting the CDK-2 protein
Synthesis, biological profile and computational insights of new derivatives of benzo [B][1,4] diazepines as prospective anticancer agents for inhibiting the CDK-2 protein
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Synthesis, biological profile and computational insights of new derivatives of benzo [B][1,4] diazepines as prospective anticancer agents for inhibiting the CDK-2 protein

Dar, Parvaiz A ; Bhat, Basharat A ; Mir, Mushtaq A ; Chaudhari, Somdatta Y ; Shah, Wajaht A

Journal of biomolecular structure & dynamics, 2024-02, p.1-16 [Periódico revisado por pares]

England

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6
Investigating the role of Sterol C24-Methyl transferase mutation on drug resistance in leishmaniasis and identifying potential inhibitors
Investigating the role of Sterol C24-Methyl transferase mutation on drug resistance in leishmaniasis and identifying potential inhibitors
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Investigating the role of Sterol C24-Methyl transferase mutation on drug resistance in leishmaniasis and identifying potential inhibitors

Khan, Huma ; Waqas, Muhammad ; Khurshid, Beenish ; Ullah, Nazif ; Khalid, Asaad ; Abdalla, Ashraf N. ; Alamri, Mubarak A. ; Wadood, Abdul

Journal of biomolecular structure & dynamics, 2023-09, p.1-14 [Periódico revisado por pares]

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7
Investigation of ritonavir analogs antiretroviral natural compounds against SARS-CoV-2 envelope protein
Investigation of ritonavir analogs antiretroviral natural compounds against SARS-CoV-2 envelope protein
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Investigation of ritonavir analogs antiretroviral natural compounds against SARS-CoV-2 envelope protein

Negi, Shivani ; Kamboj, Nitin Kumar ; K., Gireesh Babu ; Yadava, Umesh

Journal of biomolecular structure & dynamics, 2023-11, p.1-16 [Periódico revisado por pares]

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8
Active and allosteric site binding MM-QM studies of Methylidene tetracyclo derivative in PCSK9 protein intended to make a safe antilipidemic agent
Active and allosteric site binding MM-QM studies of Methylidene tetracyclo derivative in PCSK9 protein intended to make a safe antilipidemic agent
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Active and allosteric site binding MM-QM studies of Methylidene tetracyclo derivative in PCSK9 protein intended to make a safe antilipidemic agent

Irfan, N. ; Vaithyanathan, Prakash ; Anandaram, Harishchander ; Mohammed Zaidh, S. ; Priya Varshini, S. ; Puratchikody, A.

Journal of biomolecular structure & dynamics, 2023-07, Vol.ahead-of-print (ahead-of-print), p.1-10 [Periódico revisado por pares]

England: Taylor & Francis

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9
Revealing binding selectivity of ligands toward murine double minute 2 and murine double minute X based on molecular dynamics simulations and binding free energy calculations
Revealing binding selectivity of ligands toward murine double minute 2 and murine double minute X based on molecular dynamics simulations and binding free energy calculations
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Revealing binding selectivity of ligands toward murine double minute 2 and murine double minute X based on molecular dynamics simulations and binding free energy calculations

Shi, Shuhua ; Sui, Kai ; Liu, Weizhe ; Lei, Yanzi ; Zhang, Shaolong ; Zhang, Qinggang

Journal of biomolecular structure & dynamics, 2020-11, Vol.38 (17), p.5081-5094 [Periódico revisado por pares]

England: Taylor & Francis

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10
The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol
The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol
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The molecular docking and molecular dynamics study of flavonol synthase and flavonoid 3'-monooxygenase enzymes involved for the enrichment of kaempferol

Kumari, Garima ; Nigam, Vinod Kumar ; Pandey, Dev Mani

Journal of biomolecular structure & dynamics, 2023-04, Vol.41 (6), p.2478-2491 [Periódico revisado por pares]

England: Taylor & Francis

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