Search Result "ab initio thermodynamics"
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 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
Reversible Friedel-Crafts Acylations of Anthracene: Rearrangements of Acetylanthracenes
Journal: Letters in Organic Chemistry
Volume: 6 Issue: 3 Year: 2009 Page: 237-241
Author(s): Tahani Malabi, Sergey Pogodin, Israel Agranat
Peculiar Sequence of the Thermodynamic Protonation Parameters for Bis-Chelate Ligands with Methylhydroxyiminoethanamide Moieties
Journal: Current Inorganic Chemistry (Discontinued)
Volume: 5 Issue: 2 Year: 2015 Page: 83-97
Author(s): Igor Vasyl Nikolayenko,Jonathan Raymond Barry,Ashwin Manival,Thomas-John Theron,Craig Grimmer
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
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
QSPR Models to Predict Thermodynamic Properties of Cycloalkanes Using Molecular Descriptors and GA-MLR Method
Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 1 Year: 2020 Page: 6-16
Author(s): Daryoush Joudaki,Fatemeh Shafiei
Development, Validation, and Applications of Anisotropic Polarizable Molecular Mechanics to Study Ligand and Drug-Receptor Interactions
Journal: Current Pharmaceutical Design
Volume: 12 Issue: 1 Year: 2006 Page: 2121-2158
Author(s): Nohad Gresh
DFT Study and NBO Analysis of Conformational Properties of 2-Substituted 2-Oxo-1,3,2-Dioxaphosphorinanes and Their Dithia and Diselena Analogs
Journal: Letters in Organic Chemistry
Volume: 12 Issue: 7 Year: 2015 Page: 516-522
Author(s): Fatemeh Azarakhshi,Mehrnoosh Khaleghian,Nazanin Farhadyar
The Protein Folding Problem: A Biophysical Enigma
Journal: Current Pharmaceutical Biotechnology
Volume: 3 Issue: 4 Year: 2002 Page: 329-347
Author(s): J. S. Fetrow, A. Giammona, A. Kolinski, J. Skolnick