Search Result "ab initio charges"
Principles, Challenges and Advances in ab initio Protein Structure Prediction
Journal: Protein & Peptide Letters
Volume: 19 Issue: 11 Year: 2012 Page: 1194-1204
Author(s): Arunachalam Jothi
Ab initio study of the LOM-AKH-I peptide in gas phase environment
Journal: Protein & Peptide Letters
Volume: 7 Issue: 2 Year: 2000 Page: 113-116
Author(s): Igor Z. Zubrzycki
Ab-initio Investigation of 5-methoxybenzimidazole Compound
Journal: Current Materials Science
Volume: 17 Issue: 0 Year: 2024 Page: 1-10
Author(s):
From Relative to Absolute Configuration of Complex Natural Products: Interplay Between NMR, ECD, VCD, and ORD Assisted by ab initio Calculations
Journal: Current Organic Chemistry
Volume: 14 Issue: 1 Year: 2010 Page: 1612-1628
Author(s): Ana G. Petrovic, Armando Navarro-Vazquez, Jose Lorenzo Alonso-Gomez
Integrated Web-Based ab initio Modeling Platform for G-protein Coupled Receptors
Journal: Letters in Drug Design & Discovery
Volume: 8 Issue: 2 Year: 2011 Page: 159-171
Author(s): Govindan Subramanian, Manish Sud, Sam Billakanti, Adel Laoui
Stereo-Structural Prediction and IR-Characteristic Band Assignment of Amorphous Protonated Forms of Homodipeptides L-Phe-L-Phe, L-Trp-LTrp, L-Tyr-L-Tyr and the Neutral - L-Trp-L-Trp. Ab Initio Approximation and Solid-State Linear-Polarized IR-Spectroscop
Journal: Protein & Peptide Letters
Volume: 13 Issue: 9 Year: 2006 Page: 889-896
Author(s): B. B. Ivanova, M. G. Arnaudov
Ab Initio and DFT Study of Chinesin I and Chinesin II
Journal: Current Physical Chemistry
Volume: 5 Issue: 4 Year: 2015 Page: 274-293
Author(s): Liliana Mammino
Synthesis, Physico-Chemical Properties and DFT Calculations of New 2-(4- Arylpiperazine-1-yl)-1-(3-ethylbenzofuran-2-yl)ethanols As Potential Antihypertensive Agents
Journal: Current Organic Chemistry
Volume: 15 Issue: 7 Year: 2011 Page: 1081-1096
Author(s): Zuzana Mandelova, Radka Opatrilova, Ivan Raich, Jaroslav Havlicek, Sandra Kacerova, Tomas Pekarek, Marcela Tkadlecova, Petra Staskova, Jiri Dohnal, Jozef Csollei, Josef Jampilek
Computational Characterization of a Series of Eicosanoids
Journal: Letters in Drug Design & Discovery
Volume: 2 Issue: 4 Year: 2005 Page: 322-328
Author(s): A. S.A. Gracon, S. J. Pernecky, M. C. Milletti, J.- A Park, Y. Yuan, H. Kim
Molecular Modeling of Transmembrane Helices 6 and 7 of the Heptahelical Lutropin Receptor
Journal: Protein & Peptide Letters
Volume: 9 Issue: 2 Year: 2002 Page: 153-158
Author(s): J. Paul Simon, Krassimira Angelova, David Puett