Search Result "ab initio prediction"
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
Small Angle Scattering and ab initio Modeling
Ebook: Advances in Physicochemical Properties of Biopolymers (Part 1)
Volume: 1 Year: 2017
Author(s): Denis Renard,C. Sanchez
Doi: 10.2174/9781681084534117010006
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
Refinement of Protein Structure Predicted Models Using Minimum Spanning Tree
Journal: Current Computer-Aided Drug Design
Volume: 11 Issue: 1 Year: 2015 Page: 32-38
Author(s): Shaheera Rashwan,Bayumy A. Youssef
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
Ab initio Energy Gap Calculations of ZnO Nanowires Based on LDA-1/2 Approach
Journal: Nanoscience & Nanotechnology-Asia
Volume: 4 Issue: 2 Year: 2014 Page: 124-131
Author(s): Mauro Ribeiro
Neural Network Pairwise Interaction Fields for Protein Model Quality Assessment and Ab Initio Protein Folding
Journal: Current Protein & Peptide Science
Volume: 12 Issue: 6 Year: 2011 Page: 549-562
Author(s): Alberto J.M. Martin, Claudio Mirabello, Gianluca Pollastri
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
Quantitative Prediction of Critical Amino Acid Positions for Protein Folding
Journal: Protein & Peptide Letters
Volume: 16 Issue: 1 Year: 2009 Page: 1342-1349
Author(s): Trias Thireou, Vassilios Atlamazoglou, Nikolaos A. Papandreou, Mathieu Lonquety, Jacques Chomilier, Elias Eliopoulos
Quantum Mechanical (QM) Calculations Applied to ADMET Drug Prediction: A Review
Journal: Current Drug Metabolism
Volume: 18 Issue: 6 Year: 2017 Page: 511-526
Author(s): E. F. Silva-Júnior,T. M. Aquino,J. X. Araújo-Júnior