Search Result "quantum calculations"
A Perspective on Quantum Mechanics Calculations in ADMET Predictions
Journal: Current Topics in Medicinal Chemistry
Volume: 13 Issue: 11 Year: 2013 Page: 1257-1272
Author(s): J. Phillip Bowen,Osman F. Guner
Accelerating Quantum Chemistry Calculations with Graphical Processing Units - Toward in High-Density (HD) Silico Drug Discovery
Journal: Current Computer-Aided Drug Design
Volume: 9 Issue: 3 Year: 2013 Page: 396-401
Author(s): Yohsuke Hagiwara,Kazuki Ohno,Masaya Orita,Ryota Koga,Toshio Endo,Yutaka Akiyama,Masakazu Sekijima
Perspective on the Role of Quantum Mechanical Calculations on Cellular Molecular Interactions
Ebook: Frontiers in Computational Chemistry
Volume: 7 Year: 2024
Author(s):
Doi: 10.2174/9789815179033124070002
The Study of Interaction of Melphalan with SWCNT- BNNT ThroughForce Fields Molecular Mechanics and Quantum Calculations in DifferentSolvents and Temperatures
Journal: Letters in Organic Chemistry
Volume: 20 Issue: 7 Year: 2023 Page: 657-671
Author(s): Mohammad Hassan Jamshidi
Quantum Chemical Study of Fe Doped ZnO Nanoclusters
Journal: Micro and Nanosystems
Volume: 5 Issue: 1 Year: 2013 Page: 14-21
Author(s): Shamoon Ahmad Siddiqui,M.M. Abdullah
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
Quantum Chemical Methods for Calculation of Non-Covalent Interactions in Biological Molecules
Journal: Current Physical Chemistry
Volume: 2 Issue: 4 Year: 2012 Page: 314-323
Author(s): Sarah Aldulaijan,James A. Platts
Single-Electron States in Quantum Well (Quantum Film) in the Presence of External Uniform Electrostatic Field
Ebook: Effect of Static Electric Fields on The Electronic And Optical Properties of Layered Semiconductor Nanostructures
Volume: 1 Year: 2015
Author(s): Volodya Artavazd Harutyunyan
Doi: 10.2174/9781681080802115010003
Application of QSAR Analysis and Different Quantum Chemical Calculation Methods in Activity Evaluation of Selected Fluoroquinolones
Journal: Combinatorial Chemistry & High Throughput Screening
Volume: 21 Issue: 7 Year: 2018 Page: 468-475
Author(s): Piotr Kawczak,Leszek Bober,Tomasz BÄ
czek
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