Search Result "free energy computation"


Computational Sampling and Simulation Based Assessment of Novel Mycobacterium tuberculosis Glutamine Synthetase Inhibitors: Study Involving Structure Based Drug Design and Free Energy Perturbation

Journal: Current Topics in Medicinal Chemistry
Volume: 16 Issue: 9 Year: 2016 Page: 978-995
Author(s): Priyanka Suryadevara,Perumal Yogeeswari,Vijay Soni,Parthiban Brindha Devi,Vinay Kumar Nandicoori,Dharmarajan Sriram

Research Article

Binding Free Energy-Based Footprint Pharmacophore Model to Enhance Virtual Screening and Drug Discovery: A Case on Glycosidases as Anti-influenza Drug Targets

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 1 Year: 2016 Page: 1033-1046
Author(s): Ndumiso N. Mhlongo, Mahmoud E. S. Soliman

Research Article

An Energy Saving Algorithm (ESA) For Wireless Sensor Networks: Testing and Evaluation

Journal: Recent Patents on Computer Science
Volume: 9 Issue: 3 Year: 2016 Page: 260-273
Author(s): Muneer B. Yassein,Safwan Omari,Enas H.A. Yabes,Shadi Aljawarneh

Review Article

Soft Computing Techniques for the Protein Folding Problem on High Performance Computing Architectures

Journal: Current Drug Targets
Volume: 17 Issue: 1 Year: 2016 Page: 1626-1648
Author(s):

A Computational Analysis of Indomethacin Derivative as Tubulin Inhibitor: Insights into Development of Chemotherapeutic Agents

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 6 Year: 2016 Page: 431-436
Author(s): Kelly Miranda Costa,Cláudio Nahum Alves,José Rogério Araújo Silva,Jerônimo Lameira

Energy Efficient Hybrid Dual MAC Protocol for Wireless Sensor Network

Journal: International Journal of Sensors, Wireless Communications and Control
Volume: 6 Issue: 1 Year: 2016 Page: 35-44
Author(s): Kannughatta N. Shreenath, Krishnarajanagar G. Srinivasa

A Computational Study of Three Frequent Mutations of EGFR and their Effects on Protein Dimer Formation and Non-Small Cell Lung Cancer Drug Resistance

Journal: Current Bioinformatics
Volume: 11 Issue: 3 Year: 2016 Page: 382-391
Author(s): Zhiyong Shen,Debby D. Wang,Lichun Ma,Hong Yan,Maria P. Wong,Victor H.F. Lee

Review Article

Computational Modeling and Experimental Facts of Mixed Self- Assembly Systems

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 34 Year: 2016 Page: 5249-5256
Author(s): Paula V. Messina,Jose Miguel Besada-Porto,Ramón Rial,Humberto González-Díaz,Juan M. Ruso

Review Article

A Review of Theoretical Studies on Functionalized Graphene for Electrochemical Energy Conversion and Storage Applications

Journal: Current Physical Chemistry
Volume: 6 Issue: 4 Year: 2016 Page: 244-265
Author(s): Ana S. Dobrota, Igor A. Pasti

Computer Aided Drug Design: Success and Limitations

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 5 Year: 2016 Page: 572-581
Author(s):

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