Amber force field implementation, molecular modelling study, synthesis and MMP-1/MMP-2 inhibition profile of (R)- and (S)-N-hydroxy-2-(N-isopropoxybiphenyl-4-ylsulfonamido)-3-methylbutanamides

2006 ◽  
Vol 14 (12) ◽  
pp. 4260-4276 ◽  
Author(s):  
Tiziano Tuccinardi ◽  
Adriano Martinelli ◽  
Elisa Nuti ◽  
Paolo Carelli ◽  
Federica Balzano ◽  
...  
Keyword(s):  
Force Field ◽  
Molecular Modelling ◽  
Amber Force Field ◽  
Modelling Study

scholarly journals In vitro anticancer potentiality and molecular modelling study of novel amino acid derivatives based on N1,N3-bis-(1-hydrazinyl-1-oxopropan-2-yl) isophthalamide

2019 ◽  
Vol 34 (1) ◽  
pp. 1247-1258 ◽  
Author(s):  
Asmaa F. Kassem ◽  
Gaber O. Moustafa ◽  
Eman S. Nossier ◽  
Hemat S. Khalaf ◽  
Marwa M. Mounier ◽  
...  
Keyword(s):  
Amino Acid ◽  
Molecular Modelling ◽  
Amino Acid Derivatives ◽  
Modelling Study

Membrane Protein Simulations Using AMBER Force Field and Berger Lipid Parameters

2012 ◽  
Vol 8 (3) ◽  
pp. 948-958 ◽  
Author(s):  
Arnau Cordomí ◽  
Gianluigi Caltabiano ◽  
Leonardo Pardo
Keyword(s):  
Membrane Protein ◽  
Force Field ◽  
Amber Force Field ◽  
Lipid Parameters

VFFDT: A New Software for Preparing AMBER Force Field Parameters for Metal-Containing Molecular Systems

2016 ◽  
Vol 56 (4) ◽  
pp. 811-818 ◽  
Author(s):  
Suqing Zheng ◽  
Qing Tang ◽  
Jian He ◽  
Shiyu Du ◽  
Shaofang Xu ◽  
...  
Keyword(s):  
Force Field ◽  
Amber Force Field ◽  
Molecular Systems ◽  
Force Field Parameters

scholarly journals Molecular Modelling Study of the PPARγ Receptor in Relation to the Mode of Action/Adverse Outcome Pathway Framework for Liver Steatosis

2014 ◽  
Vol 15 (5) ◽  
pp. 7651-7666 ◽  
Author(s):  
Ivanka Tsakovska ◽  
Merilin Al Sharif ◽  
Petko Alov ◽  
Antonia Diukendjieva ◽  
Elena Fioravanzo ◽  
...  
Keyword(s):  
Molecular Modelling ◽  
Mode Of Action ◽  
Adverse Outcome ◽  
Liver Steatosis ◽  
Adverse Outcome Pathway ◽  
Modelling Study

Synthesis, Molecular Modelling Study of the Methaqualone Analogues as Anti-Convulsant Agent with Improved Cognition Activity and Minimized Neurotoxicity

2021 ◽  
pp. 131972
Author(s):  
Iqrar Ahmad ◽  
Sazedur Rahman Akand ◽  
Matin Shaikh ◽  
Rahul Pawara ◽  
S.N. Manjula ◽  
...  
Keyword(s):  
Molecular Modelling ◽  
Modelling Study
Sign in / Sign up

Export Citation Format

Share Document