Equilibrium landscape of ingress/egress channels and gating residues of the Cytochrome P450 3A4 von Ackad, Edward Michael, Biggers, Laurence, Meister, Mary, Kontoyianni, Maria

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A validation of a simple model for the calculation of the ionization energies in X-ray laser-cluster interactions von White, Jeff, Ackad, Edward

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Ponderomotive scaling in the radiative damping regime von Pandit, Rishi R., Ackad, Edward, d'Humieres, Emmanuel, Sentoku, Yasuhiko

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Recombination effects in soft-x-ray cluster interactions at the xenon giant resonance von Ackad, Edward, Bigaouette, Nicolas, Mack, Stephanie, Popov, Konstatin, Ramunno, Lora

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The NS4A Cofactor Dependent Enhancement of HCV NS3 Protease Activity Correlates with a 4D Geometrical Measure of the Catalytic Triad Region von Hamad, Hamzah A, Thurston, Jeremy, Teague, Thomas, Ackad, Edward, Yousef, Mohammad S

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Effect of soft-core potentials on inverse bremsstrahlung heating during laser matter interactions von Pandit, Rishi R., Sentoku, Yasuhiko, Becker, Valerie R., Barrington, Kasey, Thurston, Jeremy, Cheatham, Jonathan, Ramunno, Lora, Ackad, Edward

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Comparative molecular dynamics simulation of Hepatitis C Virus NS3/4A protease (Genotypes 1b, 3a and 4b) predicts conformational instability of the catalytic triad in drug resistan... von Kramer, Mitchell, Halleran, Daniel, Rahman, Moazur, Iqbal, Mazhar, Anwar, Muhammad Ikram, Anwar, Muhmad Ikram, Sabet, Salwa, Ackad, Edward, Yousef, Mohammad S, Yousef, Mohammad

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Nonlinear grid mapping applied to an FDTD-based, multi-center 3D Schrödinger equation solver von Bigaouette, Nicolas, Ackad, Edward, Ramunno, Lora

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Hydride transfer tunneling-ready-state structure as a function of donor-acceptor distance: A full gating coordinate for the vibrational tunneling-ready-state von Sakhaee, Nader, Ackad, Edward, Lu, Yun

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Molecular dynamics simulations of an engineered T4 lysozyme exclude helix to sheet transition, and provide insights into long distance, intra‐protein switchable motion von Biggers, Laurence, Elhabashy, Hadeer, Ackad, Edward, Yousef, Mohammad S.

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Comparison of the effect of soft-core potentials and Coulombic potentials on bremsstrahlung during laser matter interaction von Pandit, Rishi R., Becker, Valerie R., Barrington, Kasey, Thurston, Jeremy, Ramunno, Lora, Ackad, Edward

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Effects of tampering on rare-gas core-shell clusters irradiated by resonantly tuned soft-x-ray pulses von Pandit, Rishi, Becker, Valerie, Thurston, Jeremy, Barrington, Kasey, Hartwick, Zachary, Bigaouette, Nicolas, Ramunno, Lora, Ackad, Edward

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Augmented collisional ionization via excited states in XUV cluster interactions von ACKAD, Edward, BIGAOUETTE, Nicolas, RAMUNNO, Lora

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A Novel in Silico 4D Geometrical Measure of the Active Site Correlates with the Enzymatic Activity of HCV NS3 Protease; Implications in Catalysis and Drug Design von Yousef, Mohammad S., Hamad, Hamzah, Thurston, Jeremy, Teague, Thomas, Ackad, Edward

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Intense VUV–xenon-cluster interaction revisited von Pandit, Rishi, Bigaouette, Nicolas, Becker, Valerie R., Thurston, Jeremy, Barrington, Kasey, Ackad, Edward, Ramunno, Lora

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Calculation of electron-positron production in supercritical uranium-uranium collisions near the Coulomb barrier von Ackad, Edward, Horbatsch, Marko

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Ultraintense laser-cluster interactions: Effects of the cluster shape von Barrington, Kasey, Hartwick, Zachary, Trost, Joseph, Pandit, Rishi, Bigaouette, Nicolas, Ramunno, Lora, Ackad, Edward

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Induced transparency in the XUV: a pump-probe test of laser-cluster interactions von Pandit, Rishi, Barrington, Kasey, Teague, Thomas, R Becker, Valerie, Thurston, Jeremy, Hartwick, Zachary, Bigaouette, Nicolas, Ramunno, Lora, Ackad, Edward

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New calculations for heavy-ion collisions with super-critical fields von Ackad, E, Horbatsch, M

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Supercritical Dirac resonance parameters from extrapolated analytic continuation methods von Ackad, Edward, Horbatsch, Marko

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