Search Result "quantum calculations"


Review Article

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

Review Article

Applying Semi-Empirical Quantum Harmonic Calculations for Studying the Atomic Kinetic Energies in Hydrogen Bonded Systems

Journal: Current Physical Chemistry
Volume: 7 Issue: 1 Year: 2017 Page: 3-22
Author(s): Y. Finkelstein,R. Moreh

Quantum Systems of Electrons in a Semiconductor Crystal

Ebook: Open Quantum Physics and Environmental Heat Conversion into Usable Energy

Volume: 2 Year: 2017
Author(s): Eliade Stefanescu
Doi: 10.2174/9781681084190117020004

Unitary Relativistic Quantum Dynamics and Electromagnetic Field

Ebook: Open Quantum Physics and Environmental Heat Conversion into Usable Energy

Volume: 2 Year: 2017
Author(s): Eliade Stefanescu
Doi: 10.2174/9781681084190117020003
Review Article

Quantum-Mechanics Methodologies in Drug Discovery: Applications of Docking and Scoring in Lead Optimization

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2663-2680
Author(s): Alejandro Crespo,Agustina Rodriguez-Granillo,Victoria T. Lim

Research Article

Grid-based Continual Analysis of Molecular Interior for Drug Discovery, QSAR and QSPR

Journal: Current Drug Discovery Technologies
Volume: 14 Issue: 3 Year: 2017 Page: 181-205
Author(s): Andrey V. Potemkin,Maria A. Grishina,Vladimir A. Potemkin

Review Article

Polypeptide-matrix Synthesis and Quantum-chemical Models of Molecular Structures of 3d-metal Macro Heterocyclic Compounds

Journal: Current Organic Chemistry
Volume: 21 Issue: 21 Year: 2017 Page: 2135-2156
Author(s): Oleg V. Mikhailov

Review Article

A Critical Review of Validation, Blind Testing, and Real- World Use of Alchemical Protein-Ligand Binding Free Energy Calculations

Journal: Current Topics in Medicinal Chemistry
Volume: 17 Issue: 23 Year: 2017 Page: 2577-2585
Author(s): Robert Abel,Lingle Wang,David L. Mobley,Richard A. Friesner

Research Article

Dipole Moment and Polarizability of Impurity Doped GaAs Quantum Dots: Role of Noise

Journal: Recent Advances in Communications and Networking Technology
Volume: 6 Issue: 2 Year: 2017 Page: 93-103
Author(s): Manas Ghosh,Anuja Ghosh

Superradiant Structure and Heat Conversion into Usable Energy

Ebook: Open Quantum Physics and Environmental Heat Conversion into Usable Energy

Volume: 2 Year: 2017
Author(s): Eliade Stefanescu
Doi: 10.2174/9781681084190117020005

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