Search Result "molecular modeling"


Pentameric models as alternative molecular targets for the design of new antiaggregant agents

Journal: Current Protein & Peptide Science
Volume: 17 Issue: 2 Year: 2016 Page: 156-168
Author(s): Exequiel E. Barrera Guisasola,Lucas J. Gutierrez,Sebastián A. Andujar,Emilio Angelina,Ana M. Rodríguez,Ricardo D. Enriz

Insights from the Molecular Dynamics Simulation of Cellobiohydrolase Cel6A Molecular Structural Model from Aspergillus fumigatus NITDGPKA3

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 4 Year: 2016 Page: 325-333
Author(s): Subba Reddy Dodda,Nibedita Sarkar,Kaustav Aikat,Navanietha R. Krishnaraj,Sanchari Bhattacharjee,Angshuman Bagchi,Sudit S. Mukhopadhyay

Research Article

Design of Novel Chemotherapeutic Agents Targeting Checkpoint Kinase 1 Using 3D-QSAR Modeling and Molecular Docking Methods

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 4 Year: 2016 Page: 302-313
Author(s): Anand Balupuri, Pavithra K. Balasubramanian, Seung J. Cho

Identification of Potent Virtual Leads Specific to S1’ Loop of ADAMTS4: Pharmacophore Modeling, 3D-QSAR, Molecular Docking and Dynamic Studies

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 3 Year: 2016 Page: 216-227
Author(s): P. Rathi Suganya,Sukesh Kalva,Lilly M. Saleena

Research Article

Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase

Journal: Recent Patents on Anti-Cancer Drug Discovery
Volume: 11 Issue: 4 Year: 2016 Page: 461-468
Author(s): Maryam Iman,Zeynab Khansefid,Asghar Davood

QSAR and Molecular Modeling Studies on a Series of Indole-based Pyridone Analogues as HCV NS5B Polymerase Inhibitors

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 8 Year: 2016 Page: 757-770
Author(s): Neelu Singh, Basheerulla Shaik, Neeraj Agrawal, Anita K, Vijay K. Agrawal, Satya P. Gupta

Research Article

Molecular Modeling and Virtual Screening Approach to Discover Potential Antileishmanial Inhibitors Against Ornithine Decarboxylase

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 19 Issue: 10 Year: 2016 Page: 813-823
Author(s): Rajan Kumar Pandey,Priyanka Prajapati,Sukriti Goyal,Abhinav Grover,Vijay Kumar Prajapati

Development of Energy-based Pharmacophore Model and Stepwise Virtual Screening of LRRK2 Inhibitors Through Molecular Dynamics and Mechanics

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 1 Year: 2016 Page: 24-32
Author(s): Sagar S. Bhayye,Kunal Roy,Achintya Saha

In silico Studies Toward the Discovery of Novel Type-II Inhibitors of TrkA: Pharmacophore-based 3D-QSAR Modeling, Database Screening and Molecular Docking

Journal: Letters in Drug Design & Discovery
Volume: 13 Issue: 6 Year: 2016 Page: 526-538
Author(s): Yahui Tian,Lu Zhou,Xiaoli Li,Suwen Zhou,Rong Yong,Liangliang Zhong

Design of Broad-Spectrum Inhibitors of Influenza A Virus M2 Proton Channels: A Molecular Modeling Approach

Journal: Current Computer-Aided Drug Design
Volume: 12 Issue: 2 Year: 2016 Page: 154-164
Author(s): Yuri N. Klimochkin,Vadim A. Shiryaev,Pavel V. Petrov,Eugene V. Radchenko,Vladimir A. Palyulin,Nikolay S. Zefirov

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