Search Result "fragment molecular orbital"
Localization and Localizability in Quantum Organic Chemistry: Localized Orbitals and Localization Functions
Journal: Current Organic Chemistry
Volume: 15 Issue: 2 Year: 2011 Page: 3555-3565
Author(s): Bernard Silvi, Peter Reinhardt
GAMESS As a Free Quantum-Mechanical Platform for Drug Research
Journal: Current Topics in Medicinal Chemistry
Volume: 12 Issue: 18 Year: 2012 Page: 2013-2033
Author(s): Yuri Alexeev,Michael P. Mazanetz,Osamu Ichihara,Dmitri G. Fedorov
Intramolecular Electron Transfer: Computational Study Based on the Orbital Deletion Procedure (ODP)
Journal: Current Organic Chemistry
Volume: 10 Issue: 7 Year: 2006 Page: 779-790
Author(s): Yirong Mo
Oleuropein: Molecular Dynamics and Computation
Journal: Current Medicinal Chemistry
Volume: 24 Issue: 39 Year: 2017 Page: 4315-4328
Author(s): Luigi Gentile,Nicola A. Uccella,Ganapathy Sivakumar
Novel Quantitative Structure-Activity Studies of HIV-1 Protease Inhibitors of the Cyclic Urea Type Using Descriptors Derived from Molecular Dynamics and Molecular Orbital Calculations
Journal: Current Computer-Aided Drug Design
Volume: 5 Issue: 1 Year: 2009 Page: 38-55
Author(s): Tatsusada Yoshida, Toshio Fujita, Hiroshi Chuman
Transient Expression of Recombinant sPDGFRα-Fc in CHO DG44 Cells using 50-mL Orbitally Shaking Disposable Bioreactors
Journal: Protein & Peptide Letters
Volume: 17 Issue: 7 Year: 2010 Page: 919-924
Author(s): Yun-Xia Sang, Xiao-Wei Zhang, Xiao-Jia Chen, Kui Xie, Chui-Wen Qian, An Hong, Qiu-Ling Xie, Sheng Xiong
Molecular Graph Theory: From Adjacency Information to Colored Topology by Chemical Reactivity
Journal: Current Organic Chemistry
Volume: 19 Issue: 4 Year: 2015 Page: 359-386
Author(s): Marina A. Tudoran,Mihai V. Putz
Sialic Acid Recognition of the Pandemic Influenza 2009 H1N1 Virus: Binding Mechanism Between Human Receptor and Influenza Hemagglutinin
Journal: Protein & Peptide Letters
Volume: 18 Issue: 5 Year: 2011 Page: 530-539
Author(s): Kaori Fukuzawa, Katsumi Omagari, Katsuhisa Nakajima, Eri Nobusawa, Shigenori Tanaka
The Effect of Post-Translational and Process-Induced Modifications on the Multistage Gas-Phase Fragmentation Reactions of Protonated Peptides
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 12 Issue: 2 Year: 2009 Page: 175-184
Author(s): Jennifer M. Froelich, Gavin E. Reid
Molecular Mechanisms of Cellular Transport, Resistance and Cytotoxic Side Effects of Platinum and Adjuvant Anti-cancer Drugs â A Molecular Orbital Study
Ebook: Frontiers in Computational Chemistry
Volume: 3 Year: 2017
Author(s): Clifford W. Fong
Doi: 10.2174/9781681081670117030005