Search Result "molecular models"


Research Article

Molecular Modeling Studies of Anti-Alzheimer Agents by QSAR, Molecular Docking and Molecular Dynamics Simulations Techniques

Journal: Medicinal Chemistry
Volume: 16 Issue: 7 Year: 2020 Page: 903-927
Author(s): Rahman Abdizadeh,Farzin Hadizadeh,Tooba Abdizadeh

Research Article

Lignans and Neolignans Anti-tuberculosis Identified by QSAR and Molecular Modeling

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 23 Issue: 6 Year: 2020 Page: 504-516
Author(s): Mayara S. Maia,Natália F. de Sousa,Gabriela C.S. Rodrigues,Alex F.M. Monteiro,Marcus T. Scotti,Luciana Scotti

Research Article open access plus

Molecular Modeling and Docking of Aquaporin Inhibitors to Reveal New Insights into Schistosomiasis Treatment

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 6 Year: 2020 Page: 772-785
Author(s): Meshari Alazmi

Review Article

The Application of the Combination of Monte Carlo Optimization Method based QSAR Modeling and Molecular Docking in Drug Design and Development

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 1389-1402
Author(s): Maja Zivkovic,Marko Zlatanovic,Nevena Zlatanovic,Mladjan Golubović,Aleksandar M. Veselinović

Research Article

p-Trifluoroacetophenone Oxime Ester Derivatives: Synthesis, Antimicrobial and Cytotoxic Evaluation and Molecular Modeling Studies

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 2 Year: 2020 Page: 169-183
Author(s): İrem Bozbey,Suat Sari,Emine Şalva,Didem Kart,Arzu Karakurt

Research Article

Structure prediction of SPAK C-terminal domain and analysis of its binding to RFXV/I motifs by homology modelling, docking, and molecular dynamics simulation studies

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 0 Year: 2020 Page: 1-10
Author(s): Mubarak A. Alamri,Ahmed D. Alafnan,Obaid Afzal,Alhumaidi B. Alabbas,Safar M. Alqahtani

Review Article

A Better Understanding of Computational Models for Predicting DNA Methylation Effects at the Molecular Level

Journal: Current Topics in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 901-909
Author(s): Nathanael K. Proctor,Tugba Ertan-Bolelli,Kayhan Bolelli,Ethan W. Taylor,Norman H.L. Chiu,J. Phillip Bowen

Research Article

Biological Evaluation and Molecular Modeling of 3,4-dihydropyrimidine- 2(1H)-one Derivatives as Cytotoxic Agents on Breast Cancer In Vitro

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 8 Year: 2020 Page: 983-992
Author(s): Hoda Sharifi,Ahmad Ebadi,Meysam Soleimani

Research Article

Proposition of Potential GSK-3β Inhibitors for the Treatment of Alzheimer’s Disease: A Molecular Modeling Study

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 5 Year: 2020 Page: 541-554
Author(s): Leandro L. Castro,Leide C. S. Picanço,Jaderson V. Silva,Lucilene R. Souza,Kessia P. A. Sousa,Abraão A. Pinheiro,Gisele A. Chaves,Hueldem R. C. Teixeira,Guilherme M. Silva,Carlton A. Taft,Carlos H.T. de P. da Silva,Lorane I. da S. Hage-Melim

Molecular Modeling Applied to Design of Cysteine Protease Inhibitors – A Powerful Tool for the Identification of Hit Compounds Against Neglected Tropical Diseases

Ebook: Perhalopyridines: Synthesis and Synthetic Utility

Volume: 5 Year: 2020
Author(s): Igor José dos Santos Nascimento,Thiago Mendonça de Aquino,Paulo Fernando da Silva Santos-Júnior,João Xavier de Araújo-Júnior,Edeildo Ferreira da Silva-Júnior
Doi: 10.2174/97898114577911200501

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