Search Result "molecular dynamics simula-tion"


Research Article

Rational Design and Engineering of a Mutant Variant of Urate Oxidase as a Therapeutic Enzyme: A Molecular Dynamics Simulation Approach

Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 1 Year: 2017 Page: 30-38
Author(s): Sajjad Ahrari, Fatemeh Dabbagh, Sobhan Ahrari, Younes Ghasemi, Navid Mogharrab, Yasser Riazalhosseini

Review Article

Modeling Nano-Metric Manufacturing Processes with Molecular Dynamics Method: A Review

Journal: Current Nanoscience
Volume: 13 Issue: 1 Year: 2017 Page: 3-20
Author(s): Nikolaos E. Karkalos,Angelos P. Markopoulos

Research Article

Understanding the Action of Indolizines as Biologically Active Moieties: A Molecular Dynamics Study

Journal: Current Computer-Aided Drug Design
Volume: 13 Issue: 1 Year: 2017 Page: 22-29
Author(s): Beata Szefler, Przemyslaw Czelen, Mircea V. Diudea

Research Article

Characterization of Atomic Surface Roughness in Nanometric Machining Molecular Dynamics (MD) Simulations

Journal: Current Nanoscience
Volume: 13 Issue: 1 Year: 2017 Page: 31-39
Author(s): Akinjide Olufemi Oluwajobi,Xun Chen

Review Article

Can Ligands of Different Functional Types Induce Distinct Dynamics in G Protein-Coupled Receptors?

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 21 Year: 2017 Page: 2370-2380
Author(s): Yu-Hsuan Chen,Jung-Hsin Lin

Review Article

Computer Simulations of the Retinoid X Receptor: Conformational Dynamics and Allosteric Networks

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 6 Year: 2017 Page: 731-741
Author(s): Arjan van der Vaart,Alexander Lorkowski,Ning Ma,Geoffrey M. Gray

Research Article

Molecular Dynamics (MD) Simulation of Multi-pass Nanometric Machining – The Effect of Machining Conditions

Journal: Current Nanoscience
Volume: 13 Issue: 1 Year: 2017 Page: 21-30
Author(s): Akinjide Olufemi Oluwajobi,Xun Chen

Research Article

Structural Characterization of Amyloid β17-42 Dimer by Potential of Mean Force Analysis: Insights from Molecular Dynamics Simulations

Journal: Protein & Peptide Letters
Volume: 24 Issue: 7 Year: 2017 Page: 650-660
Author(s): Mary Dutta,Rajkalyan Chutia,Venkata Satish Kumar Mattaparthi

Research Article

Computational Analysis of Pyridopyrimidine-based Polo Like Kinase 2 (PLK2) Inhibitors: Examining the Structural Basis for Anticancer Activity

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 5 Year: 2017 Page: 581-596
Author(s): Anand Balupuri,Pavithra K. Balasubramanian,Seung Joo Cho

Research Article

Structural Studies of Aminopeptidase P from Plasmodium falciparum: A Novel Target Against Malaria

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 3 Year: 2017 Page: 330-338
Author(s): Polaboina Snigdha,Pachineella Lakshmana Rao,Nagu Prakash Prabhu,Insaf Ahmed Qureshi

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