Membrane Mediated Antimicrobial and Antitumor Activity of Cathelicidin 6: Structural Insights from Molecular Dynamics Simulation on Multi-Microsecond Scale

Antitumor Activity ◽

Dynamics Simulation ◽

Structural insights for designed alanine-rich helices: Comparing NMR helicity measures and conformational ensembles from molecular dynamics simulation

Biopolymers ◽

10.1002/bip.21004 ◽

2008 ◽

Vol 89 (9) ◽

pp. 747-760 ◽

Cited By ~ 20

Author(s):

Kun Song ◽

James M. Stewart ◽

R. Matthew Fesinmeyer ◽

Niels H. Andersen ◽

Carlos Simmerling

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Conformational Ensembles ◽

Effects of different solvents on the conformations of apoptotic cytochrome c: Structural insights from molecular dynamics simulation

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2017.06.020 ◽

2017 ◽

Vol 76 ◽

pp. 234-241 ◽

Cited By ~ 4

Author(s):

Gurusamy Muneeswaran ◽

Subramanian Kartheeswaran ◽

Kaliappan Muthukumar ◽

Christopher D. Dharmaraj ◽

Chandran Karunakaran

Keyword(s):

Molecular Dynamics ◽

Cytochrome C ◽

Dynamics Simulation ◽

Structural insights into the interactions of flavin mononucleotide (FMN) and riboflavin with FMN riboswitch: a molecular dynamics simulation study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2019.1665587 ◽

2019 ◽

Vol 38 (13) ◽

pp. 3856-3866

Author(s):

Padmaja D. Wakchaure ◽

Kalyanashis Jana ◽

Bishwajit Ganguly

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Flavin Mononucleotide ◽

Inclusion of citral isomers in native and methylated cyclodextrins: Structural insights by X-ray crystallography and molecular dynamics simulation analysis

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.130169 ◽

2021 ◽

Vol 1234 ◽

pp. 130169

Author(s):

Katerina Fourtaka ◽

Elias Christoforides ◽

Pavlos Tzamalis ◽

Kostas Bethanis

Keyword(s):

Molecular Dynamics ◽

Simulation Analysis ◽

Dynamics Simulation ◽

X Ray ◽

X Ray Crystallography ◽

Methylated Cyclodextrins ◽

Structural insights into the interactions of phorbol ester and bryostatin complexed with protein kinase C: a comparative molecular dynamics simulation study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2015.1084479 ◽

2015 ◽

Vol 34 (7) ◽

pp. 1561-1575 ◽

Cited By ~ 4

Author(s):

Patcharapong Thangsunan ◽

Suriya Tateing ◽

Supa Hannongbua ◽

Nuttee Suree

Keyword(s):

Molecular Dynamics ◽

Protein Kinase C ◽

Protein Kinase ◽

Phorbol Ester ◽

Simulation Study ◽

Dynamics Simulation ◽

Kinase C ◽

Synthesis of novel heterocyclic compounds based on dialdehyde cellulose: characterization, antimicrobial, antitumor activity, molecular dynamics simulation and target identification

Cellulose ◽

10.1007/s10570-021-04063-7 ◽

2021 ◽

Author(s):

Mohamed Hasanin ◽

Amr H. Hashem ◽

Ahmed A. El-Rashedy ◽

Samir Kamel

Keyword(s):

Molecular Dynamics ◽

Antitumor Activity ◽

Heterocyclic Compounds ◽

Target Identification ◽

Dynamics Simulation ◽

Dialdehyde Cellulose

Atomistic Structural Insights into the M Intermediate of the Blue Proteorhodopsin Photocycle via Equilibrium Molecular Dynamics Simulation

The FASEB Journal ◽

10.1096/fasebj.2021.35.s1.04734 ◽

2021 ◽

Vol 35 (S1) ◽

Author(s):

Kyle Billings ◽

Blake Mertz

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Structural insights into the camel milk lactoperoxidase: Homology modeling and molecular dynamics simulation studies

Journal of Molecular Graphics and Modelling ◽

10.1016/j.jmgm.2018.10.008 ◽

2019 ◽

Vol 86 ◽

pp. 43-51 ◽

Cited By ~ 3

Author(s):

Ishfaq A. Sheikh ◽

Essam H. Jiffri ◽

Ghulam Md Ashraf ◽

Mohammad A. Kamal

Keyword(s):

Molecular Dynamics ◽

Homology Modeling ◽

Dynamics Simulation ◽

Camel Milk ◽

Simulation Studies ◽

Structural insights into the thermostability mechanism of a nitrile hydratase from Caldalkalibacillus thermarum by comparative molecular dynamics simulation

Proteins Structure Function and Bioinformatics ◽

10.1002/prot.26076 ◽

2021 ◽

Author(s):

Ji‐Dong Shen ◽

Xue Cai ◽

Ye‐Wen Ni ◽

Li‐Qun Jin ◽

Zhi‐Qiang Liu ◽

...

Keyword(s):

Molecular Dynamics ◽

Nitrile Hydratase ◽

Dynamics Simulation ◽

Structural insights into the interactions ofxptriboswitch with novel guanine analogues: a molecular dynamics simulation study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2013.870930 ◽

2014 ◽

Vol 33 (2) ◽

pp. 234-243 ◽

Cited By ~ 2

Author(s):

Swapan S. Jain ◽

Uddhavesh B. Sonavane ◽

Mallikarjunachari V.N. Uppuladinne ◽

Emily C. McLaughlin ◽

Weiqing Wang ◽

...

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽