Search Result "fragment docking"


Computational Approaches for Fragment Optimization

Journal: Current Computer-Aided Drug Design
Volume: 3 Issue: 1 Year: 2007 Page: 69-83
Author(s): Eric Vangrevelinghe, Simon Rudisser

Fragment-Based Drug Discovery and Molecular Docking in Drug Design

Journal: Current Pharmaceutical Biotechnology
Volume: 16 Issue: 1 Year: 2015 Page: 11-25
Author(s): Tao Wang,Mian-Bin Wu,Zheng-Jie Chen,Hua Chen,Jian-Ping Lin,Li-Rong Yang

Post Processing of Protein-Compound Docking for Fragment-Based Drug Discovery (FBDD): In-Silico Structure-Based Drug Screening and Ligand-Binding Pose Prediction

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 6 Year: 2010 Page: 680-694
Author(s): Yoshifumi Fukunishi

The SeeDs Approach: Integrating Fragments into Drug Discovery

Journal: Current Topics in Medicinal Chemistry
Volume: 7 Issue: 1 Year: 2007 Page: 1568-1581
Author(s): Roderick E. Hubbard, Ben Davis, Ijen Chen, Martin J. Drysdale

Fragment-based Designing for the Generation of Novel Leads Against BACE1

Journal: Central Nervous System Agents in Medicinal Chemistry
Volume: 15 Issue: 1 Year: 2015 Page: 52-64
Author(s): Sucharita Das,Sandipan Chakraborty,Soumalee Basu

Fragment-Based Methods for Lead Discovery

Ebook: In Silico Lead Discovery
Volume: 1 Year: 2011
Author(s): Will R. Pitt,Alicia P. Higueruelo,Nikolay P. Todorov
Doi: 10.2174/978160805142711101010060

Fragment Library-Based Representation System for Protein Conformation

Journal: Protein & Peptide Letters
Volume: 13 Issue: 1 Year: 2006 Page: 29-31
Author(s): R. Kim, C.- Y. Choi

Computational Tools for In Silico Fragment-Based Drug Design

Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 17 Year: 2012 Page: 1935-1943
Author(s): Jeremie Mortier,Christin Rakers,Raphael Frederick,Gerhard Wolber

Research Article

In silico and in vitro Estimation of Structure and Biological Affinity of 1,3-Oxazoles: Fragment-to-fragment Approach

Journal: Current Computer-Aided Drug Design
Volume: 18 Issue: 2 Year: 2022 Page: 95-109
Author(s): Nataliya V. Obernikhina,Olexandr L. Kobzar,Marina V. Kachaeva,Oleksiy D. Kachkovsky,Volodymyr S. Brovarets

Methods for Docking Small Molecules to Macromolecules: A User’s Perspective. 2. Applications

Journal: Current Pharmaceutical Design
Volume: 20 Issue: 20 Year: 2014 Page: 3360-3372
Author(s): Valerie Campagna-Slater,Eric Therrien,Nathanael Weill,Nicolas Moitessier

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