Search Result "De novo ligand generation"


Revisiting De Novo Drug Design: Receptor Based Pharmacophore Screening

Journal: Current Topics in Medicinal Chemistry
Volume: 14 Issue: 16 Year: 2014 Page: 1890-1898
Author(s): Harikishore Amaravadhi,Kwanghee Baek,Ho Sup Yoon

Computational Approaches for Fragment-Based and De Novo Design

Journal: Current Topics in Medicinal Chemistry
Volume: 10 Issue: 1 Year: 2010 Page: 14-32
Author(s): Kathryn Loving, Ian Alberts, Woody Sherman

FBDD & De Novo Drug Design

Ebook: Applied Computer-Aided Drug Design: Models and Methods
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815179934123010008

Current Frontiers

Artificial Intelligence in De Novo Drug Design: Are We Still There?

Journal: Current Topics in Medicinal Chemistry
Volume: 22 Issue: 30 Year: 2022 Page: 2483-2492
Author(s): Ghulam Md Ashraf

Structural Bioinformatics and Artificial Intelligence Approaches in De Novo Drug Design

Ebook: Marvels of Artificial and Computational Intelligence in Life Sciences
Volume: 1 Year: 2023
Author(s):
Doi: 10.2174/9789815136807123010008

Scaffold-Hopping Potential of Fragment-Based De Novo Design: The Chances and Limits of Variation

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 4 Year: 2009 Page: 383-396
Author(s): Bjoern A. Krueger, Axel Dietrich, Karl-Heinz Baringhaus, Gisbert Schneider

Multi-Objective Optimization Methods in De Novo Drug Design

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 10 Year: 2012 Page: 979-987
Author(s): C. A. Nicolaou,C. Kannas,E. Loizidou

The De Novo Synthesis of Oligosaccharides: Application to the Medicinal Chemistry SAR-Study of Digitoxin

Journal: Current Topics in Medicinal Chemistry
Volume: 8 Issue: 2 Year: 2008 Page: 114-125
Author(s): George ODoherty, Maoquan Zhou

An Overview of the De Novo Prediction of Enzyme Catalytic Residues (Supplementry file)

Journal: Current Bioinformatics
Volume: 4 Issue: 3 Year: 2009 Page: 197-206
Author(s): Ziding Zhang, Yu-Rong Tang, Zhi-Ya Sheng, Dongbin Zhao

Research Article

In silico De Novo Discovery of Novel Target-specific Drug-like Bidentate Inhibitors of PTP 1B

Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 4 Year: 2024 Page: 763-781
Author(s): Sant Kumar Verma

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