Search Result "molecular simplification"

Research Article

Benzodiazepine Scaffold as Drug-like Molecular Simplification of FR235222: A Chemical Tool for Exploring HDAC Inhibition

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 4 Year: 2017 Page: 441-459

Molecular Electrostatic Potential as a Graph

Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 2 Year: 2013 Page: 272-280
Author(s): Edgar E. Daza, Julio Maza, Raul Torres

Review Article

Molecular Diversity Assessment using Chemotypes

Journal: Current Computer-Aided Drug Design
Volume: 17 Issue: 0 Year: 2021 Page: 1-8
Author(s): Hugo O. Villar,Raghav Mandayan,Mark R. Hansen

Molecular Dynamics Simulation in RNA Interference

Journal: Current Medicinal Chemistry
Volume: 21 Issue: 1 Year: 2014 Page: 1968-1975
Author(s): Xia Wang, Yonghua Wang, Lei Zheng, Jianxin Chen

Multiscale Molecular Dynamics of Protein Aggregation

Journal: Current Protein & Peptide Science
Volume: 12 Issue: 3 Year: 2011 Page: 221-234
Author(s): Cesar L. Avila, Nils J. D. Drechsel, Raul Alcantara, Jordi Villa-Freixa

Molecular Self-Assembly of Peptide Nanostructures: Mechanism of Association and Potential Uses

Journal: Current Nanoscience
Volume: 2 Issue: 2 Year: 2006 Page: 105-111
Author(s): Meital Reches, Ehud Gazit

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

Journal: Current Computer-Aided Drug Design
Volume: 7 Issue: 2 Year: 2011 Page: 146-157
Author(s): Xuan-Yu Meng, Hong-Xing Zhang, Mihaly Mezei, Meng Cui

Quantum Pharmacology for Infectious Diseases: A Molecular Connectivity Approach

Journal: Current Computer-Aided Drug Design
Volume: 8 Issue: 3 Year: 2012 Page: 249-254
Author(s): Shailza Singh

Synthesis, Separation, and Molecular Structures of Endohedral Fullerenes

Journal: Current Organic Chemistry
Volume: 16 Issue: 9 Year: 2012 Page: 1079-1094
Author(s): Shangfeng Yang

Molecular Diversity Sample Generation on the Basis of Quantum-Mechanical Computations and Principal Component Analysis

Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 5 Issue: 1 Year: 2002 Page: 49-57
Author(s): H. Gutierrez-de-Teran, J. J. Lozano, V. Segarra, F. Sanz

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