Search Result "ligand docking"


Research Article

Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands

Journal: Current Neuropharmacology
Volume: 15 Issue: 8 Year: 2017 Page: 1107-1116
Author(s): Yunierkis Perez-Castillo,Aliuska Morales Helguera,M.Natalia D. S. Cordeiro,Eduardo Tejera,Cesar Paz-y-Mino,Aminael Sanchez-Rodriguez,Fernanda Borges,Maykel Cruz-Monteagudo

Research Article open access plus

A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 14 Year: 2017 Page: 1631-1639
Author(s): Xiaohua Zhang,Horacio Perez-Sanchez,Felice C. Lightstone

Review Article

Docking Studies for Multi-Target Drugs

Journal: Current Drug Targets
Volume: 18 Issue: 5 Year: 2017 Page: 592-604
Author(s): Luciana Scotti,Francisco J.B. Mendonca Junior,Hamilton M. Ishiki,Frederico F. Ribeiro,Rajeev K. Singla,Jose M. Barbosa Filho,Marcelo S. Da Silva,Marcus T. Scotti

Review Article

Molecular Docking and Drug Discovery in β-Adrenergic Receptors

Journal: Current Medicinal Chemistry
Volume: 24 Issue: 39 Year: 2017 Page: 4340-4359
Author(s): Santiago Vilar,Eduardo Sobarzo-Sanchez,Lourdes Santana,Eugenio Uriarte

Research Article

Combined Approach of QSAR and Docking Studies for the Design of Local Anaesthetic Agents

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 20 Issue: 3 Year: 2017 Page: 272-276
Author(s): Chunyan Zhang,Zhi Li,Jiahai Ma,Jing Zhang,Longming Zhang,Tao Li,Shijian Zheng

Review Article

Quantum-Mechanics Methodologies in Drug Discovery: Applications of Docking and Scoring in Lead Optimization

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2663-2680
Author(s): Alejandro Crespo,Agustina Rodriguez-Granillo,Victoria T. Lim

Research Article

An Improved Comparative Docking Approach for Developing Specific Glycogen Phosphorylase Inhibitors Using Pentacyclic Triterpenes

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 14 Year: 2017 Page: 1640-1645
Author(s): V. Badireenath Konkimalla

Research Article

Molecular Docking and In Silico ADMET Study Reveals Flavonoids as a Potential Inhibitor of Aromatase

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 11 Year: 2017 Page: 1267-1276
Author(s): Umang Shah,Samir Patel,Mehul Patel,Jagat Upadhayay

Research Article

Molecular Docking, Synthesis and CNS Activity of Some Novel 1, 4-Benzodiazepine Derivatives

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 6 Year: 2017 Page: 690-698
Author(s): Sunil S. Menghani, Rupesh Chikhale, Amit Pant, Bijo Mathew, Pramod Khedekar

Research Article

3D-QSAR Modeling and Molecular Docking Study on Small Molecule Stat3 Inhibitors, Src Homology 2 Domain Binders

Journal: Letters in Drug Design & Discovery
Volume: 14 Issue: 1 Year: 2017 Page: 36-49
Author(s): Jing Li Wang,Li Ping Cheng,Yang Ping Quan,Zhen Wang,Fan Hong Wu,Wei Deng

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