Search Result "de novo computational enzyme design"

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

Research Article

Lead Molecules as Novel Aromatase Inhibitors: In Silico De Novo Designing and Binding Affinity Studies

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 5 Year: 2020 Page: 655-665
Author(s): Laxmi Banjare,Sant Kumar Verma,Akhlesh Kumar Jain,Suresh Thareja

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

Strategy of Computer-Aided Drug Design

Journal: Current Drug Targets - Infectious Disorders
Volume: 3 Issue: 1 Year: 2003 Page: 33-40
Author(s): A. V. Veselovsky, A. S. Ivanov

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

Effects of Increased Loop Flexibility on the Structure and Stability of a De Novo Designed Helical Protein.

Journal: Protein & Peptide Letters
Volume: 8 Issue: 2 Year: 2001 Page: 89-96
Author(s): Brigtte Simons, Dean Scholl, Terry Cyr, Mary Alice Hefford

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

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