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The Journal of Physical Chemistry Letters
|
April 16, 2026
Why Do PETases Struggle with Crystalline PET? Catalytic Ensemble Sampling Reveals Molecular Bottlenecks
Ania Di Pede-Mattatelli, Miguel A Maria-Solano, Oleksandr Haisha, et al.
Journal of Chemical Theory and Computation
|
August 14, 2020
Exploring the Conformational Landscape of Bioactive Small Molecules
Sanja Zivanovic, Francesco Colizzi, David Moreno, et al.
Journal of Chemical Theory and Computation
|
August 29, 2020
DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs
David Moreno, Sanja Zivanovic, Francesco Colizzi, et al.
Journal of the American Chemical Society
|
February 6, 2023
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 20, 2019
Asymmetric base-pair opening drives helicase unwinding dynamics
Francesco Colizzi, Cibran Perez-Gonzalez, Remi Fritzen, et al.
Journal of Medicinal Chemistry
|
September 2, 2009
Automated docking screens: a feasibility study
John J Irwin, Brian K Shoichet, Michael M Mysinger, et al.
Bioorganic & Medicinal Chemistry
|
August 16, 2006
Design, synthesis, and biological evaluation of substituted 2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamine related compounds as fructose-1,6-bisphosphatase inhibitors
Michela Rosini, Francesca Mancini, Andrea Tarozzi, et al.
Journal of Chemical Theory and Computation
|
August 14, 2020
Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up <i>In Silico</i> Drug Discovery
Sanja Zivanovic, Genís Bayarri, Francesco Colizzi, et al.
Bioorganic & Medicinal Chemistry Letters
|
November 14, 2007
Multi-target-directed coumarin derivatives: hAChE and BACE1 inhibitors as potential anti-Alzheimer compounds
Lorna Piazzi, Andrea Cavalli, Francesco Colizzi, et al.
The Journal of Biological Chemistry
|
September 29, 2018
Plasticity in oligomerization, operator architecture, and DNA binding in the mode of action of a bacterial B<sub>12</sub>-based photoreceptor
Jesús Fernández-Zapata, Ricardo Pérez-Castaño, Juan Aranda, et al.
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Search research articles
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Showing results (11-20 of 23) with videos related to
Sort By:
Page
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The Journal of Physical Chemistry Letters
|
April 16, 2026
Why Do PETases Struggle with Crystalline PET? Catalytic Ensemble Sampling Reveals Molecular Bottlenecks
Ania Di Pede-Mattatelli, Miguel A Maria-Solano, Oleksandr Haisha, et al.
Journal of Chemical Theory and Computation
|
August 14, 2020
Exploring the Conformational Landscape of Bioactive Small Molecules
Sanja Zivanovic, Francesco Colizzi, David Moreno, et al.
Journal of Chemical Theory and Computation
|
August 29, 2020
DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs
David Moreno, Sanja Zivanovic, Francesco Colizzi, et al.
Journal of the American Chemical Society
|
February 6, 2023
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs
Israel Serrano-Chacón, Bartomeu Mir, Lorenzo Cupellini, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
October 20, 2019
Asymmetric base-pair opening drives helicase unwinding dynamics
Francesco Colizzi, Cibran Perez-Gonzalez, Remi Fritzen, et al.
Journal of Medicinal Chemistry
|
September 2, 2009
Automated docking screens: a feasibility study
John J Irwin, Brian K Shoichet, Michael M Mysinger, et al.
Bioorganic & Medicinal Chemistry
|
August 16, 2006
Design, synthesis, and biological evaluation of substituted 2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamine related compounds as fructose-1,6-bisphosphatase inhibitors
Michela Rosini, Francesca Mancini, Andrea Tarozzi, et al.
Journal of Chemical Theory and Computation
|
August 14, 2020
Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up <i>In Silico</i> Drug Discovery
Sanja Zivanovic, Genís Bayarri, Francesco Colizzi, et al.
Bioorganic & Medicinal Chemistry Letters
|
November 14, 2007
Multi-target-directed coumarin derivatives: hAChE and BACE1 inhibitors as potential anti-Alzheimer compounds
Lorna Piazzi, Andrea Cavalli, Francesco Colizzi, et al.
The Journal of Biological Chemistry
|
September 29, 2018
Plasticity in oligomerization, operator architecture, and DNA binding in the mode of action of a bacterial B<sub>12</sub>-based photoreceptor
Jesús Fernández-Zapata, Ricardo Pérez-Castaño, Juan Aranda, et al.
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of 3