Quantum chemistry methods for oncological drugs /
Saved in:
| Hovedforfatter: | |
|---|---|
| Format: | eBog |
| Sprog: | engelsk |
| Udgivet: |
[S.l.] :
Elsevier,
2024.
|
| Fag: | |
| Online adgang: | ScienceDirect |
| Tags: |
Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!
|
MARC
| LEADER | 00000cam a2200000 a 4500 | ||
|---|---|---|---|
| 001 | on1424922786 | ||
| 003 | OCoLC | ||
| 005 | 20260915095219.0 | ||
| 006 | m o d | ||
| 007 | cr |n||||||||| | ||
| 008 | 240306s2024 xx o 000 0 eng d | ||
| 040 | |a YDX |b eng |c YDX |d OCLCO |d EBLCP |d OPELS |d OCLCO |d UKAHL |d OCLCQ |d SXB |d OCLCQ |d UKKRT |d SFB |d OCLCQ |d OCLCL |d OCLCF |d OCLCO | ||
| 019 | |a 1425791572 | ||
| 020 | |a 9780443155314 |q (electronic bk.) | ||
| 020 | |a 0443155313 |q (electronic bk.) | ||
| 020 | |z 9780443155307 | ||
| 020 | |z 0443155305 | ||
| 035 | |a (OCoLC)1424922786 |z (OCoLC)1425791572 | ||
| 050 | 4 | |a RC271.C5 | |
| 082 | 0 | 4 | |a 616.994061 |1 https://id.oclc.org/worldcat/ddc/E3xHPfT4KgyfbFF6fKcRyx6WPM |
| 100 | 1 | |a ALBUQUERQUE, EUDENILSON L. | |
| 245 | 1 | 0 | |a Quantum chemistry methods for oncological drugs / |c Eudenilson L. Albuquerque. |
| 260 | |a [S.l.] : |b Elsevier, |c 2024. | ||
| 300 | |a 1 online resource | ||
| 505 | 0 | |a Front Cover -- Quantum Chemistry Methods for Oncological Drugs -- Copyright Page -- Dedication -- Contents -- Preface -- I. Quantum chemistry: A review -- 1 From classical to quantum physics -- 1.1 Classical physics -- 1.1.1 Ancient Greece -- 1.1.2 Aristotelian science -- 1.1.3 Galileo's ideas -- 1.1.4 Newtonian mechanics -- 1.2 Failures of classical physics -- 1.2.1 Blackbody radiation -- 1.2.2 The photoelectric effect -- 1.2.3 The Compton effect -- 1.3 The old quantum theory -- 1.3.1 Wilson-Sommerfeld quantization rule -- 1.3.2 1D simple harmonic oscillator -- 1.3.3 The hydrogen atom | |
| 505 | 8 | |a 1.4 Conclusions -- References -- 2 Main theoretical results -- 2.1 Introduction -- 2.2 Lagrangian mechanics -- 2.3 Hamiltonian mechanics -- 2.4 Schrödinger equation -- 2.5 The postulates of quantum mechanics -- 2.6 The electronic spin angular momentum -- 2.7 Perturbation theory -- 2.8 Conclusions -- References -- 3 Computational approach -- 3.1 Introduction -- 3.2 Chemical bonds -- 3.2.1 Ionic bonds -- 3.2.2 Covalent bonds -- 3.2.3 Hydrogen bonds -- 3.2.4 van der Waals interaction -- 3.3 Born-Oppenheimer approximation -- 3.4 Many-particle systems -- 3.4.1 Hartree method | |
| 505 | 8 | |a 3.4.2 Hartree-Fock method -- 3.5 Density functional theory -- 3.6 Kohn-Sham approach -- 3.7 Exchange-correlation functionals -- 3.8 Molecular fractional with conjugate caps method -- 3.9 Conclusions -- References -- II. Immune-oncological drugs -- 4 Cancer immunotherapy -- 4.1 Introduction -- 4.2 The human immune system -- 4.3 The immune checkpoint proteins -- 4.4 Main immune-oncological drugs -- 4.5 Conclusions -- References -- 5 Immune-oncological drug atezolizumab -- 5.1 Introduction -- 5.2 Materials and methods -- 5.2.1 Drug-receptor complex data -- 5.2.2 Quantum interaction energies | |
| 505 | 8 | |a 5.3 Main results and discussions -- 5.3.1 PD-L1/Atezolizumab recognition surface -- 5.3.2 Electrostatic potential isosurfaces -- 5.4 Conclusions -- References -- 6 Immune-oncological drug nivolumab -- 6.1 Introduction -- 6.2 Materials and methods -- 6.2.1 Drug-receptor complex data -- 6.2.2 Quantum interaction energies -- 6.3 Main results and discussions -- 6.3.1 PD-1/Nivolumab recognition surface -- 6.3.2 PD-1/PD-L1 recognition surface -- 6.4 Conclusions -- References -- 7 Immune-oncological drug pembrolizumab -- 7.1 Introduction -- 7.2 Materials and methods -- 7.2.1 Drug-receptor complex data | |
| 505 | 8 | |a 7.2.2 Quantum interaction energies -- 7.3 Main results and discussions -- 7.3.1 PD-1/Pembrolizumab-HC recognition surface -- 7.3.2 PD-1/Pembrolizumab-LC recognition surface -- 7.4 Conclusions -- References -- 8 Immune-oncological drug ipilimumab -- 8.1 Introduction -- 8.2 Materials and methods -- 8.2.1 Drug-receptor complex data -- 8.2.2 Quantum interaction energies -- 8.3 Main results and discussions -- 8.3.1 CTLA-4/ipilimumab-heavy chain recognition surface -- 8.3.2 CTLA-4/ipilimumab-light chain recognition surface -- 8.4 Conclusions -- References -- 9 Optoelectronics properties | |
| 650 | 0 | |a Antineoplastic agents. | |
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 6 | |a Anticancéreux. |0 (CaQQLa)201-0004692 | |
| 650 | 6 | |a Chimie quantique. |0 (CaQQLa)201-0045730 | |
| 650 | 7 | |a Antineoplastic agents |2 fast |0 (OCoLC)fst00810595 | |
| 650 | 7 | |a Quantum chemistry |2 fast |0 (OCoLC)fst01085086 | |
| 655 | 0 | |a Electronic books. | |
| 776 | 0 | 8 | |c Original |z 0443155305 |z 9780443155307 |w (OCoLC)1389879607 |
| 856 | 4 | 0 | |3 ScienceDirect |u https://www.sciencedirect.com/science/book/9780443155307 |