Search Result "Molecular geometry optimization"
Osteoinductive Biomaterial Geometries for Bone Regenerative Engineering
Journal: Current Pharmaceutical Design
Volume: 19 Issue: 1 Year: 2013 Page: 3446-3455
Author(s): Tugba Ozdemir, Andrew M. Higgins, Justin L. Brown
A Survey of Microchannel Geometries for Mixing of Species in Biomicrofluidics
Ebook: Single and Two-Phase Flows on Chemical and Biomedical Engineering
Volume: 1 Year: 2012
Author(s): Francesco Pennella,Francesco Mastrangelo,Diego Gallo,Diana Massai,Marco A. Deriu,Giuseppe Falvo D'Urso Labate,Cristina Bignardi,Franco Montevecchi,Umberto Morbiducci
Doi: 10.2174/978160805295011201010548
Geometry Optimization, UV/Vis, NBO, HOMO and LUMO, Excited State and Antioxidant Evaluation of Pyrimidine Derivatives
Journal: Letters in Organic Chemistry
Volume: 18 Issue: 6 Year: 2021 Page: 465-476
Author(s): Siyamak Shahab,Masoome Sheikhi,Evgeni Kvasyuk,Aliaksei G. Sysa,Radwan Alnajjar,Aleksandra Strogova,Kseniya Sirotsina,Hanna Yurlevich,Darya Novik
Pharmacophore Design, Virtual Screening, Molecular Docking and Optimization Approaches to Discover Potent Thrombin Inhibitors
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 16 Issue: 9 Year: 2013 Page: 702-720
Author(s): Chandrasekaran Loganathan, Sugunadevi Sakkiah, Keun Woo Lee, Senthamaraikannan Kabilan, Chandrasekaran Meganathan
Fullerene Derivative as Anti-HIV Protease Inhibitor: Molecular Modeling and QSAR Approaches
Journal: Mini-Reviews in Medicinal Chemistry
Volume: 12 Issue: 6 Year: 2012 Page: 447-451
Author(s): M. Ibrahim,N. A. Saleh,W. M. Elshemey,A. A. Elsayed
Application of SMILES Notation Based Optimal Descriptors in Drug Discovery and Design
Journal: Current Topics in Medicinal Chemistry
Volume: 15 Issue: 18 Year: 2015 Page: 1768-1779
Author(s): Aleksandar M. Veselinovic,Jovana B. Veselinovic,Jelena V. Zivkovic,Goran M. Nikolic
Molecular Docking Algorithms
Journal: Current Drug Targets
Volume: 9 Issue: 1 Year: 2008 Page: 1040-1047
Author(s): Raquel Dias, Walter Filgueira de Azevedo Jr.
Molecular Similarity and Property Similarity
Journal: Current Topics in Medicinal Chemistry
Volume: 4 Issue: 6 Year: 2004 Page: 589-600
Author(s): Frederique Barbosa, Dragos Horvath
Computer-Aided Molecular Design in Computational Chemistry
Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s): Muhammad Adnan Iqbal
Doi: 10.2174/9789815036848122060003
Application of Artificial Neural Networks for the Prediction of Antitumor Activity of a Series of Acridinone Derivatives
Journal: Medicinal Chemistry
Volume: 8 Issue: 3 Year: 2012 Page: 309-319
Author(s): Marcin Koba