Search Result "de novo simulation."


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

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

Proteomic Study of Micro-Algae: Sample Preparation for Two-Dimensional Gel Electrophoresis and De Novo Peptide Sequencing Using MALDI-TOF MS

Journal: Current Proteomics
Volume: 4 Issue: 2 Year: 2007 Page: 67-78
Author(s): Fred Wang-Fat Lee, Samuel Chun-Lap Lo

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

Review Article

De Novo Design of New Inhibitor of Mutated Tyrosine-Kinase for the Myeloid Leukemia Treatment

Journal: Current Pharmaceutical Design
Volume: 22 Issue: 33 Year: 2016 Page: 5057-5064
Author(s): Washington Pereira,Ihosvany Camps

Research Article

Delineating Potential de novo Therapeutics and Repurposed Drugs AgainstNovel Protein LRRC15 to Treat SARS-CoV-2

Journal: Letters in Drug Design & Discovery
Volume: 21 Issue: 9 Year: 2024 Page: 1502-1520
Author(s): Abul Bashar Mir Md. Khademul Islam

Research Article

Hardware Performance Evaluation of De novo Transcriptome Assembly Software in Amazon Elastic Compute Cloud

Journal: Current Bioinformatics
Volume: 15 Issue: 5 Year: 2020 Page: 420-430
Author(s): Fernando Mora-Márquez,José Luis Vázquez-Poletti,Víctor Chano,Carmen Collada,Álvaro Soto,Unai López de Heredia

Computer-Aided Perspective for the Design of Flexible HIV Non- Nucleoside Reverse Transcriptase Inhibitors (NNRTIs): de-novo Drug Design, Virtual Screening and Molecular Dynamics Simulations

Journal: Letters in Drug Design & Discovery
Volume: 11 Issue: 4 Year: 2014 Page: 513-524
Author(s): Suri Moonsamy,Mahmoud E. S. Soliman

Molecular Modeling, de novo Design and Synthesis of a Novel, Extracellular Binding Fibroblast Growth Factor Receptor 2 Inhibitor Alofanib (RPT835)

Journal: Medicinal Chemistry
Volume: 12 Issue: 4 Year: 2016 Page: 303-317
Author(s): Ilya Tsimafeyeu,Frits Daeyaert,Jean-Baptiste Joos,Koen V. Aken,John Ludes-Meyers,Mikhail Byakhov,Sergei Tjulandin

PEPstr: A de novo Method for Tertiary Structure Prediction of Small Bioactive Peptides

Journal: Protein & Peptide Letters
Volume: 14 Issue: 7 Year: 2007 Page: 626-631
Author(s): Harpreet Kaur, Aarti Garg, G.P.S. Raghava

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