Search Results - "Francesco, A"

The CamSol Method of Rational Design of Protein Mutants with Enhanced Solubility by Sormanni, Pietro, Aprile, Francesco A., Vendruscolo, Michele

“…Protein solubility is often an essential requirement in biotechnological and biomedical applications. Great advances in understanding the principles that…”
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Biological control of postharvest diseases by microbial antagonists: how many mechanisms of action? by Di Francesco, A., Martini, C., Mari, M.

“…The postharvest phase has been considered an environment for successful application of biological control agents (BCAs). However, the interactions between…”
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PD-L1 by Kythreotou, Anthousa, Siddique, Abdul, Mauri, Francesco A, Bower, Mark, Pinato, David J

“…Programmed death ligand 1 (PD-L1) is the principal ligand of programmed death 1 (PD-1), a coinhibitory receptor that can be constitutively expressed or induced…”
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Validation and Psychometric Evaluation of the Italian Version of the Fear of COVID-19 Scale by Soraci, Paolo, Ferrari, Ambra, Abbiati, Francesco A., Del Fante, Elena, De Pace, Rosanna, Urso, Antonino, Griffiths, Mark D.

“…Background The advent of COVID-19 worldwide has led to consequences for people’s health, both physical and psychological, such as fear and anxiety. This is the…”
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Rational design of antibodies targeting specific epitopes within intrinsically disordered proteins by Sormanni, Pietro, Aprile, Francesco A., Vendruscolo, Michele

“…Antibodies are powerful tools in life sciences research, as well as in diagnostic and therapeutic applications, because of their ability to bind given…”
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CNOT-Efficient Circuits for Arbitrary Rank Many-Body Fermionic and Qubit Excitations by Magoulas, Ilias, Evangelista, Francesco A.

“…Efficient quantum circuits are necessary for realizing quantum algorithms on noisy intermediate-scale quantum devices. Fermionic excitations entering unitary…”
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Multireference Driven Similarity Renormalization Group: A Second-Order Perturbative Analysis by Li, Chenyang, Evangelista, Francesco A

“…We introduce a multireference version of the driven similarity renormalization group (DSRG) approach [ Evangelista F. A. J. Chem. Phys. 2014, 141, 054109 ]…”
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Multireference Theories of Electron Correlation Based on the Driven Similarity Renormalization Group by Li, Chenyang, Evangelista, Francesco A

“…The driven similarity renormalization group (DSRG) provides an alternative way to address the intruder state problem in quantum chemistry. In this review, we…”
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Unitary Coupled Cluster: Seizing the Quantum Moment by Magoulas, Ilias, Evangelista, Francesco A.

“…Shallow, CNOT-efficient quantum circuits are crucial for performing accurate computational chemistry simulations on current noisy quantum hardware. Here, we…”
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Toward Accurate Spin–Orbit Splittings from Relativistic Multireference Electronic Structure Theory by Zhao, Zijun, Evangelista, Francesco A.

“…Most nonrelativistic electron correlation methods can be adapted to account for relativistic effects, as long as the relativistic molecular spinor integrals…”
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Immune-based therapies for hepatocellular carcinoma by Pinato, David J., Guerra, Nadia, Fessas, Petros, Murphy, Ravindhi, Mineo, Takashi, Mauri, Francesco A., Mukherjee, Sujit K., Thursz, Mark, Wong, Ching Ngar, Sharma, Rohini, Rimassa, Lorenza

“…Hepatocellular carcinoma (HCC) is the third most frequent cause of cancer-related death. The immune-rich contexture of the HCC microenvironment makes this…”
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Benchmark Study of Core-Ionization Energies with the Generalized Active Space-Driven Similarity Renormalization Group by Huang, Meng, Evangelista, Francesco A.

“…X-ray photoelectron spectroscopy (XPS) is a powerful experimental technique for probing the electronic structure of molecules and materials; however,…”
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Theoretical Calculation of Core-Excited States along Dissociative Pathways beyond Second-Order Perturbation Theory by Huang, Meng, Li, Chenyang, Evangelista, Francesco A

“…We extend the multireference driven similarity renormalization (MR-DSRG) method to compute core-excited states by combining it with a GASSCF treatment of…”
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Direct Observation of the Interconversion of Normal and Toxic Forms of α-Synuclein by Cremades, Nunilo, Cohen, Samuel I.A., Deas, Emma, Abramov, Andrey Y., Chen, Allen Y., Orte, Angel, Sandal, Massimo, Clarke, Richard W., Dunne, Paul, Aprile, Francesco A., Bertoncini, Carlos W., Wood, Nicholas W., Knowles, Tuomas P.J., Dobson, Christopher M., Klenerman, David

“…Here, we use single-molecule techniques to study the aggregation of α-synuclein, the protein whose misfolding and deposition is associated with Parkinson's…”
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CO Inversion on a NaCl(100) Surface: A Multireference Quantum Embedding Study by He, Nan, Huang, Meng, Evangelista, Francesco A.

“…We develop a multireference quantum embedding model to investigate a recent experimental observation of the isomerization of vibrationally excited CO molecules…”
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Linear-Scaling Quantum Circuits for Computational Chemistry by Magoulas, Ilias, Evangelista, Francesco A.

“…We have recently constructed compact, CNOT-efficient, quantum circuits for Fermionic and qubit excitations of arbitrary many-body rank [Magoulas, I.;…”
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A Deterministic Projector Configuration Interaction Approach for the Ground State of Quantum Many-Body Systems by Zhang, Tianyuan, Evangelista, Francesco A

“…In this work we propose a novel approach to solve the Schrödinger equation which combines projection onto the ground state with a path-filtering truncation…”
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Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy by Schriber, Jeffrey B, Evangelista, Francesco A

“…We introduce and analyze various approaches for computing excited electronic states using our recently developed adaptive configuration interaction (ACI)…”
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Natural Inhibitors of Amyloid Aggregation by Tortora, Paolo, Aprile, Francesco A.

“…Amyloid aggregates are diverse proteinaceous assemblies, including one or more protein species, wherein the molecules interact according to characteristic…”
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Economically optimized design point of high-field stellarator power-plant by Prost, Victor, Volpe, Francesco A.

“…Abstract High temperature superconductors (HTSs) expand the design space of stellarator power-plants (PPs) toward high magnetic fields B , enabling compact…”
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