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Allosterically coupled conformational dynamics in solution prepare the sterol transfer protein StarD4 to release its cargo upon interaction with target membranes
Allosterically coupled conformational dynamics in solution prepare the sterol transfer protein StarD4 to release its cargo upon interaction with target membranes
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Allosterically coupled conformational dynamics in solution prepare the sterol transfer protein StarD4 to release its cargo upon interaction with target membranes

Xie, Hengyi ; Weinstein, Harel

Frontiers in molecular biosciences, 2023-05, Vol.10, p.1197154-1197154 [Periódico revisado por pares]

Switzerland: Frontiers Media S.A

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2
Structural and functional characterization of nylon hydrolases
Structural and functional characterization of nylon hydrolases
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Structural and functional characterization of nylon hydrolases

Negoro, Seiji ; Kato, Dai-Ichiro ; Ohki, Taku ; Yasuhira, Kengo ; Kawashima, Yasuyuki ; Nagai, Keisuke ; Takeo, Masahiro ; Shibata, Naoki ; Kamiya, Katsumasa ; Shigeta, Yasuteru

Methods in enzymology, 2021, Vol.648, p.357 [Periódico revisado por pares]

United States

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3
In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs
In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs
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In Silico Drug Repurposing Approach: Investigation of Mycobacterium tuberculosis FadD32 Targeted by FDA-Approved Drugs

Ngidi, Nolwazi Thobeka Portia ; Machaba, Kgothatso Eugene ; Mhlongo, Ndumiso Nhlakanipho

Molecules (Basel, Switzerland), 2022-01, Vol.27 (3), p.668 [Periódico revisado por pares]

Switzerland: MDPI AG

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4
In silico drug repurposing for coronavirus (COVID-19): screening known HCV drugs against the SARS-CoV-2 spike protein bound to angiotensin-converting enzyme 2 (ACE2) (6M0J)
In silico drug repurposing for coronavirus (COVID-19): screening known HCV drugs against the SARS-CoV-2 spike protein bound to angiotensin-converting enzyme 2 (ACE2) (6M0J)
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In silico drug repurposing for coronavirus (COVID-19): screening known HCV drugs against the SARS-CoV-2 spike protein bound to angiotensin-converting enzyme 2 (ACE2) (6M0J)

Kalamatianos, Konstantinos G.

Molecular diversity, 2023-06, Vol.27 (3), p.1087-1099 [Periódico revisado por pares]

Cham: Springer International Publishing

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5
Analysis of the effect of metal ions on the ability of Xylanase to hydrolyze wheat bran by molecular dynamics simulations
Analysis of the effect of metal ions on the ability of Xylanase to hydrolyze wheat bran by molecular dynamics simulations
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Analysis of the effect of metal ions on the ability of Xylanase to hydrolyze wheat bran by molecular dynamics simulations

Hou, Mingrui ; Liang, Chuanqi ; Fei, Yanan ; Yang, Dan ; Zhang, Ningjing ; Lu, Yujie ; Wang, Lei ; Xing, Zhiqiang ; Zhao, Zongpei

Frontiers in bioengineering and biotechnology, 2023-02, Vol.11, p.1142873-1142873 [Periódico revisado por pares]

Switzerland: Frontiers Media S.A

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6
Structural insights into the binding of zoledronic acid with RANKL via computational simulations
Structural insights into the binding of zoledronic acid with RANKL via computational simulations
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Structural insights into the binding of zoledronic acid with RANKL via computational simulations

Wang, Ruijie ; Zhang, Wenjie ; Ma, Hailong ; Zou, Duohong ; Zhang, Zhiyuan ; Wang, Shaoyi

Frontiers in molecular biosciences, 2022-09, Vol.9, p.992473-992473 [Periódico revisado por pares]

Frontiers Media S.A

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7
Tailored-pharmacophore model to enhance virtual screening and drug discovery: a case study on the identification of potential inhibitors against drug-resistant Mycobacterium tuberculosis (3R)-hydroxyacyl-ACP dehydratases
Tailored-pharmacophore model to enhance virtual screening and drug discovery: a case study on the identification of potential inhibitors against drug-resistant Mycobacterium tuberculosis (3R)-hydroxyacyl-ACP dehydratases
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Tailored-pharmacophore model to enhance virtual screening and drug discovery: a case study on the identification of potential inhibitors against drug-resistant Mycobacterium tuberculosis (3R)-hydroxyacyl-ACP dehydratases

Machaba, Kgothatso E ; Mhlongo, Ndumiso N ; Dokurugu, Yussif M ; Soliman, Mahmoud Es

Future medicinal chemistry, 2017-06, Vol.9 (10), p.1055-1071 [Periódico revisado por pares]

England

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8
CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses
CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses
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CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses

Yekeen, Abeeb Abiodun ; Durojaye, Olanrewaju Ayodeji ; Idris, Mukhtar Oluwaseun ; Muritala, Hamdalat Folake ; Arise, Rotimi Olusanya

Computational and structural biotechnology journal, 2023-01, Vol.21, p.4849-4858 [Periódico revisado por pares]

Elsevier B.V

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9
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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10
NHANES Data Highlight the Clinical Characteristics of Those With Poorly Controlled Hypertension
NHANES Data Highlight the Clinical Characteristics of Those With Poorly Controlled Hypertension
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NHANES Data Highlight the Clinical Characteristics of Those With Poorly Controlled Hypertension

Basile, Jan N. ; Bloch, Michael J.

The journal of clinical hypertension (Greenwich, Conn.), 2012-04, Vol.14 (4), p.267-268 [Periódico revisado por pares]

Oxford, UK: Blackwell Publishing Ltd

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