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51

Attractive electron-electron interactions within robust local fitting approximations

Merlot, Patrick, Kjaergaard, Thomas, Helgaker, Trygve, Lindh, Roland, Aquilante, Francesco, Reine, Simen, Pedersen, Thomas Bondo

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 368 KB

english, 2013

52

A Population Pharmacokinetic-Pharmacogenetic Analysis of Atazanavir

Kile, Deidre A., MaWhinney, Samantha, Aquilante, Christina L., Rower, Joseph E., Castillo-Mancilla, Jose R., Anderson, Peter L.

Journal:

AIDS Research and Human Retroviruses

Year:

2012

Language:

english

File:

PDF, 254 KB

english, 2012

53

Pharmacogenomics || The Role of Pharmacogenomics in Diabetes, HIV Infection, and Pain Management

Aquilante, Christina L.

Year:

2013

Language:

english

File:

PDF, 211 KB

english, 2013

54

Reaction Mechanism of Manganese Superoxide Dismutase Studied by Combined Quantum and Molecular Mechanical Calculations and Multiconfigurational Methods

Srnec, Martin, Aquilante, Francesco, Ryde, Ulf, Rulíšek, Lubomír

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 2.18 MB

english, 2009

55

SplitGAS Method for Strong Correlation and the Challenging Case of Cr 2

Li Manni, Giovanni, Ma, Dongxia, Aquilante, Francesco, Olsen, Jeppe, Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 361 KB

english, 2013

56

Effect ofABCB1polymorphisms and atorvastatin on sitagliptin pharmacokinetics in healthy volunteers

Christina L. Aquilante, Michael F. Wempe…

Journal:

European Journal of Clinical Pharmacology

Year:

2013

Language:

english

File:

PDF, 184 KB

english, 2013

57

Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals

Aquilante, Francesco, Pedersen, Thomas Bondo, Lindh, Roland

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 491 KB

english, 2007

58

Unbiased auxiliary basis sets for accurate two-electron integral approximations

Aquilante, Francesco, Lindh, Roland, Bondo Pedersen, Thomas

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 793 KB

english, 2007

59

Cholesky Decomposition-Based Multiconfiguration Second-Order Perturbation Theory (CD-CASPT2): Application to the Spin-State Energetics of Co III (diiminato)(NPh)

Aquilante, Francesco, Malmqvist, Per-Åke, Pedersen, Thomas Bondo, Ghosh, Abhik, Roos, Björn Olof

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 374 KB

english, 2008

60

Analytic derivatives for the Cholesky representation of the two-electron integrals

Aquilante, Francesco, Lindh, Roland, Pedersen, Thomas Bondo

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 386 KB

english, 2008

61

Influence of CYP2C8*2 on the Pharmacokinetics of Pioglitazone in Healthy African-American Volunteers

Aquilante, Christina L., Wempe, Michael F., Spencer, Samantha H., Kosmiski, Lisa A., Predhomme, Julie A., Sidhom, Maha S.

Journal:

Pharmacotherapy

Year:

2013

Language:

english

File:

PDF, 185 KB

english, 2013

62

Effect of CYP3A4*22 and CYP3A5 Combined Genotypes on Tacrolimus Disposition in Heart Transplantation

Vu, A., Page, R.L., Roscoe, N., Lindenfeld, J.A., Aquilante, C.L.

Journal:

The Journal of Heart and Lung Transplantation

Year:

2014

Language:

english

File:

PDF, 108 KB

english, 2014

63

SLCO1B1 Genotype Influences the Drug-Drug Interaction between Cyclosporine and Pravastatin

Aquilante, C.L., Page, R.L., Brieke, A., Hopley, C.W., Christians, U., Hoffman, K.L., Schniedewind, B.

Journal:

The Journal of Heart and Lung Transplantation

Year:

2013

Language:

english

File:

PDF, 130 KB

english, 2013

64

The CYP3A Enzyme Inhibitor Diltiazem, Rather Than Genetic Polymorphisms, Is Associated with Everolimus Concentrations in Lung Transplant Recipients

Schoeppler, K.E., Aquilante, C.L., Kiser, T.H., Fish, D.N., Zamora, M.R.

Journal:

The Journal of Heart and Lung Transplantation

Year:

2013

Language:

english

File:

PDF, 124 KB

english, 2013

65

Assessment of Medication Regimen Complexity Over Time Following Heart Transplantation

Bryant, B.M., Libby, A.M., Metz, K., Page, R.L., Lindenfeld, J.A., Aquilante, C.L.

Journal:

The Journal of Heart and Lung Transplantation

Year:

2014

Language:

english

File:

PDF, 77 KB

english, 2014

66

Office and Home Systolic Blood Pressures Are Underestimated in Heart Transplant Recipients

Aquilante, C.L., Page, R.L., Vu, A., Roscoe, N., Wolfel, E.E., Lindenfeld, J.

Journal:

The Journal of Heart and Lung Transplantation

Year:

2013

Language:

english

File:

PDF, 93 KB

english, 2013

67

Comparison of Office, Home, and Ambulatory Blood Pressure in Heart Transplant Recipients

Aquilante, Christina L., Page, Robert L., Vu, Anh, Roscoe, Nicholai, Wolfel, Eugene E., Lindenfeld, JoAnn A.

Journal:

Journal of Cardiac Failure

Year:

2014

Language:

english

File:

PDF, 368 KB

english, 2014

68

Knowledge, Perceptions, and Behaviors Related to Salt Use Among Philadelphia Chinese Take-Out Restaurant Owners and Chefs

Ma, G. X., Shive, S., Zhang, Y., Aquilante, J., Tan, Y., Zhao, M., Solomon, S., Zhu, S., Toubbeh, J., Colby, L., Mallya, G., Zeng, Q.

Journal:

Health Promotion Practice

Year:

2014

Language:

english

File:

PDF, 364 KB

english, 2014

69

Ab Initio Density Fitting: Accuracy Assessment of Auxiliary Basis Sets from Cholesky Decompositions

Boström, Jonas, Aquilante, Francesco, Pedersen, Thomas Bondo, Lindh, Roland

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 2.03 MB

english, 2009

70

Calibration of Cholesky Auxiliary Basis Sets for Multiconfigurational Perturbation Theory Calculations of Excitation Energies

Boström, Jonas, Delcey, Mickaël G., Aquilante, Francesco, Serrano-Andrés, Luis, Pedersen, Thomas Bondo, Lindh, Roland

Journal:

Journal of Chemical Theory and Computation

Year:

2010

Language:

english

File:

PDF, 753 KB

english, 2010

71

What Active Space Adequately Describes Oxygen Activation by a Late Transition Metal? CASPT2 and RASPT2 Applied to Intermediates from the Reaction of O 2 with a Cu(I)-α-Ketocarboxylate

Huber, Stefan M., Moughal Shahi, Abdul Rehaman, Aquilante, Francesco, Cramer, Christopher J., Gagliardi, Laura

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 1.63 MB

english, 2009

72

On the Analysis of the Cr−Cr Multiple Bond in Several Classes of Dichromium Compounds

La Macchia, G., Li Manni, G., Todorova, T. K., Brynda, M., Aquilante, F., Roos, B. O., Gagliardi, L.

Journal:

Inorganic Chemistry

Year:

2010

Language:

english

File:

PDF, 2.45 MB

english, 2010

73

Complete vs Restricted Active Space Perturbation Theory Calculation of the Cr 2 Potential Energy Surface

Ruipérez, Fernando, Aquilante, Francesco, Ugalde, Jesus M., Infante, Ivan

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 1.36 MB

english, 2011

74

Bond Length and Bond Order in One of the Shortest Cr−Cr Bonds

La Macchia, Giovanni, Aquilante, Francesco, Veryazov, Valera, Roos, Björn O., Gagliardi, Laura

Journal:

Inorganic Chemistry

Year:

2008

Language:

english

File:

PDF, 450 KB

english, 2008

75

Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex

Delcey, Mickaël G., Freitag, Leon, Pedersen, Thomas Bondo, Aquilante, Francesco, Lindh, Roland, González, Leticia

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 767 KB

english, 2014

76

Calculation of Protein−Ligand Interaction Energies by a Fragmentation Approach Combining High-Level Quantum Chemistry with Classical Many-Body Effects

Söderhjelm, Pär, Aquilante, Francesco, Ryde, Ulf

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 692 KB

english, 2009

77

Race, ethnicity, and use of thiazolidinediones among US adults with diabetes*

Aquilante, Christina L., Zhang, Weiming, McCollum, Marianne

Journal:

Current Medical Research and Opinion

Year:

2007

Language:

english

File:

PDF, 258 KB

english, 2007

78

Analytical gradients of the second-order Møller-Plesset energy using Cholesky decompositions

Boström, Jonas, Veryazov, Valera, Aquilante, Francesco, Bondo Pedersen, Thomas, Lindh, Roland

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 254 KB

english, 2014

79

Computation of the acetone ultraviolet spectrum in gas phase and in aqueous solution by a mixed discrete/continuum model

AQUILANTE, FRANCESCO, COSSI, MAURIZIO, CRESCENZI, ORLANDO, SCALMANI, GIOVANNI, BARONE, VINCENZO

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 896 KB

english, 2003

80

The impact of genetic polymorphisms, diltiazem, and demographic variables on everolimus trough concentrations in lung transplant recipients

Schoeppler, Kelly E., Aquilante, Christina L., Kiser, Tyree H., Fish, Douglas N., Zamora, Martin R.

Journal:

Clinical Transplantation

Year:

2014

Language:

english

File:

PDF, 115 KB

english, 2014

81

Systematic truncation of the virtual space in multiconfigurational perturbation theory

Aquilante, Francesco, Todorova, Tanya Kumanova, Gagliardi, Laura, Pedersen, Thomas Bondo, Roos, Björn Olof

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 905 KB

english, 2009

82

Influence of SLCO1B1 Polymorphisms on the Drug-Drug Interaction Between Darunavir/Ritonavir and Pravastatin

Aquilante, Christina L., Kiser, Jennifer J., Anderson, Peter L., Christians, Uwe, Kosmiski, Lisa A., Daily, Elizabeth B., Hoffman, Keith L., Hopley, Charles W., Predhomme, Julie A., Schniedewind, Bjor

Journal:

Journal of Clinical Pharmacology

Year:

2012

Language:

english

File:

PDF, 336 KB

english, 2012

83

A theoretical investigation of valence and Rydberg electronic states of acrolein

Aquilante, Francesco, Barone, Vincenzo, Roos, Björn O.

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 459 KB

english, 2003

84

A two-scale approach to electron correlation in multiconfigurational perturbation theory

Farahani, Pooria, Roca-Sanjuán, Daniel, Aquilante, Francesco

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 486 KB

english, 2014

85

Atomic Cholesky decompositions: A route to unbiased auxiliary basis sets for density fitting approximation with tunable accuracy and efficiency

Aquilante, Francesco, Gagliardi, Laura, Pedersen, Thomas Bondo, Lindh, Roland

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 975 KB

english, 2009

86

Cytochrome P450 2C8 pharmacogenetics: a review of clinical studies

Daily, Elizabeth B, Aquilante, Christina L

Journal:

Pharmacogenomics

Year:

2009

Language:

english

File:

PDF, 705 KB

english, 2009

87

Self-consistency in frozen-density embedding theory based calculations

Aquilante, Francesco, Wesołowski, Tomasz A.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 582 KB

english, 2011

88

Evaluation of sulfobutylether-β-cyclodextrin (SBECD) accumulation and voriconazole pharmacokinetics in critically ill patients undergoing continuous renal replacement therapy

Kiser, Tyree H, Fish, Douglas N, Aquilante, Christina L, Rower, Joseph E, Wempe, Michael F, MacLaren, Robert, Teitelbaum, Isaac

Journal:

Critical Care (BioMed Central)

Year:

2015

Language:

english

File:

PDF, 840 KB

english, 2015

89

PharmGKB summary

Aquilante, Christina L., Niemi, Mikko, Gong, Li, Altman, Russ B., Klein, Teri E.

Journal:

Pharmacogenetics and Genomics

Year:

2013

Language:

english

File:

PDF, 444 KB

english, 2013

90

Strong correlation treated via effective hamiltonians and perturbation theory

Li Manni, Giovanni, Aquilante, Francesco, Gagliardi, Laura

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 399 KB

english, 2011

91

Correction: Orbital entanglement and CASSCF analysis of the Ru–NO bond in a Ruthenium nitrosyl complex

Freitag, Leon, Knecht, Stefan, Keller, Sebastian F., Delcey, Mickaël G., Aquilante, Francesco, Pedersen, Thomas Bondon, Lindh, Roland, Reiher, Markus, Gonzalez, Leticia

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.27 MB

english, 2015

92

Atazanavir pharmacokinetics in genetically determined CYP3A5 expressors versus non-expressors

Anderson, P. L., Aquilante, C. L., Gardner, E. M., Predhomme, J., McDaneld, P., Bushman, L. R., Zheng, J.-H., Ray, M., MaWhinney, S.

Journal:

Journal of Antimicrobial Chemotherapy

Year:

2009

Language:

english

File:

PDF, 499 KB

english, 2009

93

Development of a warfarin-dosing algorithm in Asian patients: a pharmacogenomic approach

Aquilante, Christina L

Journal:

Personalized Medicine

Year:

2007

Language:

english

File:

PDF, 117 KB

english, 2007

94

Parallelized implementation of the CCSD(T) method in MOLCAS using optimized virtual orbitals space and Cholesky decomposed two-electron integrals

Pitoňák, Michal, Aquilante, Francesco, Hobza, Pavel, Neogrády, Pavel, Noga, Jozef, Urban, Miroslav

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2011

Language:

english

File:

PDF, 549 KB

english, 2011

95

Multiconfigurational Second-Order Perturbation Theory with Frozen Natural Orbitals Extended to the Treatment of Photochemical Problems

Segarra-Martí, Javier, Garavelli, Marco, Aquilante, Francesco

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 2.09 MB

english, 2015

96

Accurate ab initio density fitting for multiconfigurational self-consistent field methods

Aquilante, Francesco, Pedersen, Thomas Bondo, Lindh, Roland, Roos, Björn Olof, Sánchez de Merás, Alfredo, Koch, Henrik

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 332 KB

english, 2008

97

Homogeneity properties of the embedding potential in frozen-density embedding theory

Zech, Alexander, Aquilante, Francesco, Wesolowski, Tomasz A.

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 629 KB

english, 2015

98

Influence ofSLCO1B1andCYP2C8gene polymorphisms on rosiglitazone pharmacokinetics in healthy volunteers

Christina L Aquilante,Lane R. Bushman,Shannon D. Knutsen…

Journal:

Year:

2008

Language:

english

File:

PDF, 221 KB

english, 2008

99

Pharmacogenetics of unboosted atazanavir in HIV-infected individuals in resource-limited settings: a sub-study of the AIDS Clinical Trials Group (ACTG) PEARLS study (NWCS 342)

Castillo-Mancilla, Jose R., Aquilante, Christina L., Wempe, Michael F., Smeaton, Laura M., Firnhaber, Cynthia, LaRosa, Alberto M., Kumarasamy, Nagalingeswaran, Andrade, Adriana, Baheti, Gautam, Fletch

Journal:

Journal of Antimicrobial Chemotherapy

Year:

2016

Language:

english

File:

PDF, 349 KB

english, 2016

100

CYP3A5 Pharmacogenetic Testing Predicts High Tacrolimus Dose Requirements Early after Cardiac Transplantation

Deininger, K.M., Vu, A., Page, R.L., Ambardekar, A.V., Lindenfeld, J., Aquilante, C.L.

Journal:

The Journal of Heart and Lung Transplantation

Year:

2016

Language:

english

File:

PDF, 78 KB

english, 2016