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Synonyms were used for: Quantum Mechanics
Search without synonyms: keywords:("Quantum Mechanics")
Used synonyms:
- quantenmechanik
-
Degradation mechanism for Zearalenone ring-cleavage by Zearalenone hydrolase RmZHD: A QM/MM study
Elsevier | 2019|Keywords: Quantum mechanics/molecular mechanics -
Combined experimental and quantum mechanical elucidation of the synthetically accessible stereoisomers of Hydroxyestradienone (HED), the starting material for vilaprisan synthesis
Online Contents | 2020|Keywords: Quantum mechanics -
The application of quantum mechanics in structure-based drug design
Taylor & Francis Verlag | 2013|Keywords: quantum mechanics, semiempirical quantum mechanics -
A theoretical study of cis–trans isomerisation in H-ZSM5: probing the impact of cluster size and zeolite framework on energetics and structure
Online Contents | 2008|Keywords: Quantum mechanics -
A theoretical study of cis–trans isomerisation in H-ZSM5: probing the impact of cluster size and zeolite framework on energetics and structure
Online Contents | 2008|Keywords: Quantum mechanics -
Quantum concepts in Psychology: Exploring the interplay of physics and the human psyche
Elsevier | 2023|Keywords: Quantum mechanics -
Reliable gas-phase tautomer equilibria of drug-like molecule scaffolds and the issue of continuum solvation
Online Contents | 2022|Keywords: Quantum mechanics -
Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energies
Online Contents | 2019|Keywords: Quantum mechanics -
Insights into the EGFR SAR of N-phenylquinazolin-4-amine-derivatives using quantum mechanical pairwise-interaction energies
Online Contents | 2019|Keywords: Quantum mechanics -
New insights into the physical processes that underpin cell division and the emergence of different cellular and multicellular structures
Elsevier | 2019|Keywords: Quantum mechanics -
High‐Throughput Virtual Screening Using Quantum Mechanical Probes: Discovery of Selective Kinase Inhibitors
Wiley | 2010|Keywords: quantum mechanics -
Harnessing fluoroacetate dehalogenase for defluorination of fluorocarboxylic acids: in silico and in vitro approach
Elsevier | 2019|Keywords: Quantum mechanics/molecular mechanics -
Using the Semiempirical Quantum Mechanics in Improving the Molecular Docking: A Case Study with CDK2
Wiley | 2020|Keywords: Semiempirical quantum mechanics -
Sheaf theoretic formulation for consciousness and qualia and relationship to the idealism of non-dual philosophies
Elsevier | 2017|Keywords: Quantum mechanics -
Molden 2.0: quantum chemistry meets proteins
Free accessOnline Contents | 2017|Keywords: Quantum mechanics -
Computation in biological systems as a quantum mechanical simulation
Elsevier | 2022|Keywords: Quantum mechanics -
Interactions of organophosphorus and related compounds with cholinesterases, a theoretical study
Elsevier | 2005|Keywords: Quantum mechanics -
Machine learning-accelerated quantum mechanics-based atomistic simulations for industrial applications
Free accessOnline Contents | 2020|Keywords: Quantum mechanics -
Ligand binding: evaluating the contribution of the water molecules network using the Fragment Molecular Orbital method
Free accessOnline Contents | 2021|Keywords: Quantum mechanics -
Structure and Energetics of Ligand–Fluorine Interactions with Galectin‐3 Backbone and Side‐Chain Amides: Insight into Solvation Effects and Multipolar Interactions
Wiley | 2019|Keywords: quantum mechanics -
Conformational analysis of alternariol on the quantum level
Online Contents | 2013|Keywords: Quantum mechanics -
Modeling of peptides containing D-amino acids: implications on cyclization
Online Contents | 2009|Keywords: Quantum mechanics -
Modeling of peptides containing D-amino acids: implications on cyclization
Online Contents | 2009|Keywords: Quantum mechanics -
Endocrine-disrupting metabolic activation of 2-nitrofluorene catalyzed by human cytochrome P450 1A1: A QM/MM approach
Elsevier | 2022|Keywords: Quantum mechanics/Molecular mechanics -
Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study
Online Contents | 2010|Keywords: Quantum mechanics -
Influence of metal cofactors and water on the catalytic mechanism of creatininase-creatinine in aqueous solution from molecular dynamics simulation and quantum study
Online Contents | 2010|Keywords: Quantum mechanics -
A Quantum Mechanics-Based Method to Predict Intramolecular Hydrogen Bond Formation Reflecting P‑glycoprotein Recognition
American Chemical Society | 2023|Keywords: quantum mechanics -
Ionic effects on the temperature–force phase diagram of DNA
Online Contents | 2017|Keywords: Imaginary time quantum mechanics -
Quantum simulations of SARS-CoV-2 main protease $ M^{pro} $ enable high-quality scoring of diverse ligands
Online Contents | 2021|Keywords: Quantum mechanics -
Principles of Quantum Mechanics for Artificial Intelligence in medicine. Discussion with reference to the Quantum Universal Exchange Language (Q-UEL)
Elsevier | 2022|Keywords: Quantum mechanics, Quantum Mechanics -
Combining Quantum Mechanical Ligand Conformation Analysis and Protein Modeling to Elucidate GPCR–Ligand Binding Modes
Wiley | 2013|Keywords: quantum mechanics -
Charge Transport in DNA - Insights from Simulations
Free accessTIBKAT | 2013|Keywords: Quantum Mechanics -
An algorithm for the study of DNA sequence evolution based on the genetic code
Elsevier | 2004|Keywords: Quantum mechanics -
De novo protein folding on computers. Benefits and challenges
Elsevier | 2022|Keywords: Quantum mechanics -
Scale relativity theory and integrative systems biology: 2 Macroscopic quantum-type mechanics
Elsevier | 2007|Keywords: Macroscopic quantum mechanics -
Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling
Online Contents | 2006|Keywords: Quantum mechanics -
Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling
Online Contents | 2006|Keywords: Quantum mechanics -
In silico exploration of disulfide derivatives of Ferula foetida oleo-gum (Covexir®) as promising therapeutics against SARS-CoV-2
Elsevier | 2022|Keywords: Quantum mechanics calculations -
Targeting NLRP3 signaling by a novel-designed sulfonylurea compound for inhibition of microglial inflammation
Elsevier | 2022|Keywords: Quantum mechanics -
A complex vector space model of single neuronal coding and experience
Elsevier | 2010|Keywords: Quantum mechanics -
The Statistical Nature of Radiation, Emission, and Interaction
Wiley | 2012|Keywords: quantum mechanics -
A quantum mechanics-based halogen bonding scoring function for protein-ligand interactions
Online Contents | 2015|Keywords: Quantum mechanics -
Why does β-cyclodextrin prefer to bind nucleotides with an adenine base rather than other 2′-deoxyribonucleoside 5′-monophosphates?
Online Contents | 2017|Keywords: Quantum mechanics -
Beyond Descartes and Newton: Recovering life and humanity
Elsevier | 2015|Keywords: Quantum mechanics -
Antagonist-perturbation mechanism for activation function-2 fixed motifs: active conformation and docking mode of retinoid X receptor antagonists
Online Contents | 2017|Keywords: Quantum mechanics
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