Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10 (Englisch)
- Neue Suche nach: Uba, Abdullahi Ibrahim
- Neue Suche nach: Yelekçi, Kemal
- Neue Suche nach: Uba, Abdullahi Ibrahim
- Neue Suche nach: Yelekçi, Kemal
In:
Journal of Biomolecular Structure and Dynamics
;
38
, 15
;
4397-4406
;
2020
- Aufsatz (Zeitschrift) / Elektronische Ressource
-
Titel:Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10
-
Beteiligte:Uba, Abdullahi Ibrahim ( Autor:in ) / Yelekçi, Kemal ( Autor:in )
-
Erschienen in:Journal of Biomolecular Structure and Dynamics ; 38, 15 ; 4397-4406
-
Verlag:
- Neue Suche nach: Taylor & Francis
-
Erscheinungsdatum:12.10.2020
-
Format / Umfang:10 pages
-
ISSN:
-
DOI:
-
Medientyp:Aufsatz (Zeitschrift)
-
Format:Elektronische Ressource
-
Sprache:Englisch
-
Schlagwörter:
-
Datenquelle:
Inhaltsverzeichnis – Band 38, Ausgabe 15
Zeige alle Jahrgänge und Ausgaben
Die Inhaltsverzeichnisse werden automatisch erzeugt und basieren auf den im Index des TIB-Portals verfügbaren Einzelnachweisen der enthaltenen Beiträge. Die Anzeige der Inhaltsverzeichnisse kann daher unvollständig oder lückenhaft sein.
- 4371
-
Small-angle X-ray scattering based structure, modeling and molecular dynamics analyses of a family 5 glycoside hydrolase first endo-mannanase named as RfGH5_7 from Ruminococcus flavefaciensGoyal, Dishant / Kumar, Krishan / Sharma, Kedar / Goyal, Arun et al. | 2020
- 4385
-
Discovery of potent apoptosis signal-regulating kinase 1 inhibitors via integrated computational strategy and biological evaluationWang, Yuchen / Hou, Shaohua / Tong, Yu / Li, Hongmei / Hua, Yi / Fan, Yuanrong / Chen, Xingye / Yang, Yan / Liu, Haichun / Lu, Tao et al. | 2020
- 4397
-
Crystallographic structure versus homology model: a case study of molecular dynamics simulation of human and zebrafish histone deacetylase 10Uba, Abdullahi Ibrahim / Yelekçi, Kemal et al. | 2020
- 4407
-
Identification of therapeutic peptide scaffold from tritrpticin family for urinary tract infections using in silico techniquesShruti, S. R. / Rajasekaran, R. et al. | 2020
- 4418
-
Evolutionary significance and functional characterization of streptomycin adenylyltransferase from Serratia marcescensPrabhu, Dhamodharan / Rajamanikandan, Sundaraj / Saritha, Poopandi / Jeyakanthan, Jeyaraman et al. | 2020
- 4432
-
Identification of novel inhibitor of protein tyrosine phosphatases delta: structure-based pharmacophore modeling, virtual screening, flexible docking, molecular dynamics simulation, and post-molecular dynamics analysisMa, Yang-Chun / Yang, Bing / Wang, Xin / Zhou, Liang / Li, Wei-Ya / Liu, Wen-Shan / Lu, Xin-Hua / Zheng, Zhi-Hui / Ma, Ying / Wang, Run-Ling et al. | 2020
- 4449
-
Elucidation of role of an acetyltransferase like protein in paromomycin resistance in Leishmania donovani using in silico and in vitro approachesVerma, Aditya / Nayek, Arnab / Kumar, Amit / Singh, Ruchi / Salotra, Poonam et al. | 2020
- 4461
-
Discovery of selective farnesoid X receptor agonists for the treatment of hyperlipidemia from traditional Chinese medicine based on virtual screening and in vitro validationChen, Xi / Lu, Fang / Luo, Ganggang / Ren, Yue / Ma, Jing / Zhang, Yanling et al. | 2020
- 4471
-
The pathogenicity, structural and functional exploration of human HMGB1 single nucleotide polymorphisms using in silico studySanthiya, P. / Christian Bharathi, A. / Syed Ibrahim, B. et al. | 2020
- 4483
-
The structural basis of acid resistance in Mycobacterium tuberculosis: insights from multiple pH regime molecular dynamics simulationsShahbaaz, Mohd / Potemkin, Vladimir / Grishina, Maria / Bisetty, Krishna / Hassan, Imtaiyaz et al. | 2020
- 4493
-
In silico mutation on a mutant lipase from Acinetobacter haemolyticus towards enhancing alkaline stabilityAnuar, Nurul Fatin Syamimi Khairul / Wahab, Roswanira Abdul / Huyop, Fahrul / Halim, Khairul Bariyyah Abd / Hamid, Azzmer Azzar Abdul et al. | 2020
- 4508
-
Uncovering the structure and function of Pseudomonas aeruginosa periplasmic proteins by an in silico approachCaprari, Silvia / Brandi, Valentina / Pasquadibisceglie, Andrea / Polticelli, Fabio et al. | 2020
- 4521
-
Identification of potential inhibitors for HCV NS5b of genotype 4a by combining dynamic simulation, protein–ligand interaction fingerprint, 3D pharmacophore, docking and 3D QSAREl-Hassab, Mahmoud Abd El-Monem / El-Bastawissy, Eman Esmat / El-Moselhy, Tarek Fathy et al. | 2020
- 4536
-
Comprehensive analysis of the molecular docking of small molecule inhibitors to the Aβ1–40 peptide and its Osaka-mutant: insights into the molecular mechanisms of Aβ-peptide inhibitionSalahuddin, Parveen / Khan, Rizwan Hasan / Uversky, Vladimir N. et al. | 2020
- 4567
-
3D-QSAR, molecular docking, and molecular dynamics simulation of a novel thieno[3,4-d]pyrimidine inhibitor targeting human immunodeficiency virus type 1 reverse transcriptaseChu, Han / He, Qing-xiu / Wang, Jun-wei / Deng, Ya-ting / Wang, Juan / Hu, Yong / Wang, Yuan-qiang / Lin, Zhi-hua et al. | 2020
- 4579
-
What limits the primary sequence space of natural proteins?Mittal, Aditya / Changani, Anandkumar Madhavjibhai / Taparia, Sakshi et al. | 2020
- 4584
-
Mitogen activated protein kinase-1 and cell division control protein-42 are putative targets for the binding of novel natural lead molecules: a therapeutic intervention against Candida albicansGopal, Dharshini / Muddebihalkar, Aditi G / Skariyachan, Sinosh / C, Akshay Uttarkar / Kaveramma, Prinith / Praveen, Ulluvangada / Shankar, Roshini Ravi / Venkatesan, Tejaswini / Niranjan, Vidya et al. | 2020
- 4600
-
Identification of deleterious missense variants of human Piwi like RNA-mediated gene silencing 1 gene and their impact on PAZ domain structure, stability, flexibility and dimension: in silico analysisElkarhat, Zouhair / Elkhattabi, Lamiaa / Charoute, Hicham / Morjane, Imane / Errouagui, Abdellatif / Carey, Francis / Nasser, Boubker / Barakat, Abdelhamid / Rouba, Hassan et al. | 2020
- 4607
-
Design and activity detection of BH3-mimetic peptide based on Bcl-XL binding potencyFu, Chenggong / Zhao, Longhe / Tan, Xiangmin / Li, Jiazhong / Wang, Xin et al. | 2020
- 4617
-
Structure-based methoxyflavone derivatives with potent inhibitory activity against various influenza neuraminidasesZang, Yongjian / Hao, Dongxiao / Wang, He / Yang, Zhiwei / Liu, Huadong / Zhang, Shengli et al. | 2020
- 4625
-
Virtual high-throughput screening of natural compounds in-search of potential inhibitors for protection of telomeres 1 (POT1)Amir, Mohd / Mohammad, Taj / Prasad, Kartikay / Hasan, Gulam Mustafa / Kumar, Vijay / Dohare, Ravins / Islam, Asimul / Ahmad, Faizan / Imtaiyaz Hassan, Md. et al. | 2020
- 4635
-
Quantum chemical and well-tempered metadynamics study to design adenine analogs for orthogonal Preq1 riboswitchJana, Kalyanashis / Wakchaure, Padmaja D. / Ghosh, Shibaji / Bandyopadhyay, Tusar / Ganguly, Bishwajit et al. | 2020
- 4644
-
Bovine serum albumin/gold nanoparticles as a drug delivery system for Curcumin: experimental and computational studiesKhodashenas, Bahareh / Ardjmand, Mehdi / Sharifzadeh Baei, Mazyar / Shokuhi Rad, Ali / Akbarzadeh Khiyavi, Azim et al. | 2020
- 4655
-
In vitro and in silico studies of nitrobenzamide derivatives as potential anti-neuroinflammatory agentsKulabas, Seda Savranoglu / Onder, Ferah Comert / Yılmaz, Yakup Berkay / Ozleyen, Adem / Durdagi, Serdar / Sahin, Kader / Ay, Mehmet / Tumer, Tugba Boyunegmez et al. | 2020