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  1. 3101
    “…The prediction of free binding energy (ΔG(bind)) using the Quantum Mechanics/Molecular Mechanics-Generalized Born (QM/MM-GBSA) approach for each system had the following results, PC1-α-Glu: −13.97 kcal mol(−1), PC2-α-Glu: −3.69 kcal mol(−1), and PC3-α-Glu: −13.68 kcal mol(−1). …”
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    Structure-based approach: molecular insight of pyranocumarins against α-glucosidase through computational studies
  2. 3102
    “…For one of the identified metal binding sites, multiscale Quantum Mechanics/Molecular Mechanics (QM/MM) simulations further validated the results from MD and revealed small but reproducible charge transfer between the metal ion and its first solvation shell. …”
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    Mechanism of Calcium Permeation in a Glutamate Receptor Ion Channel
  3. 3103
    “…Attempts to understand its spectrum are inextricably linked to the early history and development of quantum mechanics. The hydrogen atom’s stature lies in its simplicity and in the accuracy with which its spectrum can be measured1 and compared to theory. …”
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    Resonant quantum transitions in trapped antihydrogen atoms
  4. 3104
    por Paetz gen. Schieck, Hans
    Publicado 2014
    “…Readers are assumed to have a working knowledge of quantum mechanics and a basic grasp of both non-relativistic and relativistic kinematics; the latter in particular is a prerequisite for interpreting nuclear reactions and the connections to particle and high-energy physics.…”
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    Nuclear reactions: an introduction
  5. 3105
    por Debnath, Lokenath
    Publicado 1997
    “…Building upon the successful material of the first book, this edition contains updated modern examples and applications from areas of fluid dynamics, gas dynamics, plasma physics, nonlinear dynamics, quantum mechanics, nonlinear optics, acoustics, and wave propagation. …”
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    Nonlinear partial differential equations for scientists and engineers
  6. 3106
    por Gleiser, Marcelo
    Publicado 2013
    “…In its modern incarnation, this Theory of Everything would unite the physical laws governing very large bodies (Einstein’s theory of relativity) and those governing tiny ones (quantum mechanics) into a single framework. But despite the brave efforts of many powerful minds, the Theory of Everything remains elusive. …”
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    A tear at the edge of creation: a radical new vision for life in an imperfect universe
  7. 3107
    por Phipps, Claude
    Publicado 2016
    “…To understand the basics of quantum mechanics, or of protons, neutrons and electrons, you don’t need algebra, calculus, or a lot of equations or technical buzzwords. …”
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    No wonder you wonder!: great inventions and scientific mysteries
  8. 3108
    por Chalmers, David J
    Publicado 1997
    “…The book also features thoughtful discussions of how the author's theories might be practically applied to subjects as diverse as artificial intelligence and the interpretation of quantum mechanics. All of us have pondered the nature and meaning of consciousness. …”
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    The conscious mind: in search of a fundamental theory
  9. 3109
    por Snyder, D M
    Publicado 2004
    “…Where a single form of erasure is employed, when the physical existent reaches the detection screen it should show a typical Young-type interference pattern like that found for classic two-slit gedankenexperiments in quantum mechanics where there is no manipulation of the "particle" in its travel to the double-slit. …”
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    Is It Possible to Use a Quantum Eraser to Send Binary Data to a Remote Location?
  10. 3110
    por Baianu, IC
    Publicado 2004
    “…In previous publications (Baianu,1971a, b) the formal definition of quantum automaton was initially presented in the Schrodinger representation of quantum mechanics, and several possible implications for genetic processes and metabolic activities in living cells and organisms were considered. …”
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    Quantum Nano-Automata (QNA) : Towards Microphysical Measurements with Quantum, Nanoscale 'Instruments'
  11. 3111
    “…Rational design was performed using quantum mechanics calculations and molecular modeling for selecting the most appropriate monomers. …”
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    Biomolecular Fishing: Design, Green Synthesis, and Performance of l-Leucine-Molecularly Imprinted Polymers
  12. 3112
    “…Entanglement is a fundamental feature of quantum mechanics and holds great promise for enhancing metrology and communications. …”
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    Approaching optimal entangling collective measurements on quantum computing platforms
  13. 3113
    “…In this study, we utilized molecular dynamics (MD) simulations, Markov State Models (MSM), and quantum mechanics/molecular mechanics simulations (QM/MM) to investigate the de novo methyl transfer process. …”
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    Unveiling the methyl transfer mechanisms in the epigenetic machinery DNMT3A-3 L: A comprehensive study integrating assembly dynamics with catalytic reactions
  14. 3114
    “…Molecular and cellular analyses revealed that our triple-drug cocktail treatment inhibited glioma tumor growth in rat model through ROS-mediated inactivation of PI3K/AKT/mTOR pathway, arrest of the cell cycle at G1 phase and induction of molecular mechanisms of caspases-dependent apoptosis.In addition, the docking analysis and quantum mechanics studies performed here hypothesize that the effect of triple-drug combination could have been attributed by their difference in molecular interactions, that maybe due to varying electrostatic potential. …”
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    A combination of metformin and epigallocatechin gallate potentiates glioma chemotherapy in vivo
  15. 3115
    por Wojtkowiak, Kamil, Jezierska, Aneta
    Publicado 2023
    “…Carbonic anhydrase (CA) I with a Topiramate (TPM) complex was investigated on the basis of a Quantum Mechanics/Molecular Mechanics (QM/MM) approach. …”
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    Role of Non-Covalent Interactions in Carbonic Anhydrase I—Topiramate Complex Based on QM/MM Approach
  16. 3116
    “…However, this interpretation fails in the quantum-mechanical perspective which predicts a single unique steady state. …”
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    Quantum behavior of the Duffing oscillator at the dissipative phase transition
  17. 3117
    “…Here, we introduce a kinetic Monte Carlo protocol that permits, for the first time, the representation of relevant reactions on the atomic scale, without additional approximations, while still reaching very long time and length scales of the simulation of graphene growth. The quantum-mechanics-based multiscale model, which links kinetic Monte Carlo growth processes with the rates of occurring chemical reactions, calculated from first principles makes it possible to investigate the contributions of the most important species in graphene growth. …”
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    Multiscale Model of CVD Growth of Graphene on Cu(111) Surface
  18. 3118
    por Beckett, Daniel, Voth, Gregory A.
    Publicado 2023
    “…In this work, extensive quantum mechanics/molecular mechanics simulations with transition-tempered metadynamics free-energy sampling of compacted and expanded interdimer complexes, as well as a free heterodimer, have been carried out to provide clear insight into the GTP hydrolysis mechanism. α:E254 was found to be the catalytic residue in a compacted lattice, while in the expanded lattice, disruption of a key salt bridge interaction renders α:E254 less effective. …”
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    Unveiling the catalytic mechanism of GTP hydrolysis in microtubules
  19. 3119
    por Ghasemi, Fatemeh, Tirandaz, Arash
    Publicado 2023
    “…In this study, we propose a quantum mechanical model of adaptive mutation based on the implications of the theory of open quantum systems. …”
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    Environment assisted quantum model for studying RNA-DNA-error correlation created due to the base tautomery
  20. 3120
    “…These results highlight the potential of local-oscillator-independent differential clock comparisons for emerging applications of optical atomic clocks including geodesy, searches for new physics, gravitational wave detection, and explorations of the interplay between quantum mechanics and gravity.…”
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    A lab-based test of the gravitational redshift with a miniature clock network
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