Showing 1 - 20 results of 310 for search '"Vidossich P"', query time: 1.38s Refine Results
1
Academic Journal
On the Role of Molecular Conformation of the 8‑Oxoguanine Lesion in Damaged DNA Processing by Polymerases.

Authors: Geronimo, Inacrist, Vidossich, Pietro, De Vivo, Marco

Source: Journal of Chemical Information & Modeling; 3/13/2023, Vol. 63 Issue 5, p1521-1528, 8p

3
Academic Journal
Multiscale molecular simulations to investigate adenylyl cyclase‐based signaling in the brain.

Authors: van Keulen, Siri C., Martin, Juliette, Colizzi, Francesco, Frezza, Elisa, Trpevski, Daniel, Diaz, Nuria Cirauqui, Vidossich, Pietro, Rothlisberger, Ursula, Hellgren Kotaleski, Jeanette, Wade, Rebecca C., Carloni, Paolo

Source: WIREs: Computational Molecular Science; Jan/Feb2023, Vol. 13 Issue 1, p1-20, 20p

4
Structure of the human cation–chloride cotransport KCC1 in an outward-open state

Authors: Yongxiang Zhao, Jiemin Shen, Qinzhe Wang, Manuel Jose Ruiz Munevar, Pietro Vidossich, Marco De Vivo, Ming Zhou, Erhu Cao

Source: Proceedings of the National Academy of Sciences. 119

Subject Terms: Multidisciplinary

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_________::75dca1370edbdb0fb45b507594b3ae8e
https://doi.org/10.1073/pnas.2109083119

6
Local Structural Dynamics at the Metal-Centered Catalytic Site of Polymerases is Critical for Fidelity

Authors: Marco De Vivo, Pietro Vidossich, Inacrist Geronimo

Source: ACS Catalysis. 11:14110-14121

Subject Terms: Catalysis, General Chemistry, Metal, visual_art.visual_art_medium, visual_art, Chemical physics, Polymerase, biology.protein, biology, Fidelity, media_common.quotation_subject, media_common, Physics

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_________::de8620f0f69194b9ddebafd6b8196a40
https://doi.org/10.1021/acscatal.1c03840

8
Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide

Authors: Yongxiang Zhao, Kasturi Roy, Pietro Vidossich, Laura Cancedda, Marco De Vivo, Biff Forbush, Erhu Cao

Source: Nature Communications. 13

Subject Terms: General Physics and Astronomy, General Biochemistry, Genetics and Molecular Biology, General Chemistry, Multidisciplinary

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_________::2fcc43f072144a56d06e75470c4eacbe
https://doi.org/10.1038/s41467-022-30407-3

9
Influence of Steric Effect on the Pseudo-Multicomponent Synthesis of N-Aroylmethyl-4-Arylimidazoles

Authors: Nerith Rocio Elejalde-Cadena, Mayra García-Olave, David Figueroa, Pietro Vidossich, Gian Pietro Miscione, Jaime Portilla

Source: Molecules; Volume 27; Issue 4; Pages: 1165

Subject Terms: amidines, N-aroylmethylimidazoles, DFT calculations, pseudo-MCRs, steric effect, Chemistry (miscellaneous), Analytical Chemistry, Organic Chemistry, Physical and Theoretical Chemistry, Molecular Medicine, Drug Discovery, Pharmaceutical Science

File Description: application/pdf

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a00821414d154a32611ae57087f91284

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10
Insights into the Catalytic Mechanism of Domains CD1 and CD2 in Histone Deacetylase 6 from Quantum Calculations

Authors: Pietro Vidossich, Marco De Vivo, Tiziana Marino, Nino Russo, Mario Prejanò

Source: ACS Catalysis. 11:3084-3093

Subject Terms: Catalysis, General Chemistry, Drug discovery, Histone deacetylase, Metalloprotein, chemistry.chemical_classification, chemistry, Quantum, HDAC6, Mechanism (biology), Computational biology, CD1

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_________::c709e7196d16bbfb5227f9af7aa2ffe6
https://doi.org/10.1021/acscatal.0c04729

11
Academic Journal
Alchemical Free Energy Calculations to Investigate Protein–Protein Interactions: the Case of the CDC42/PAK1 Complex.

Authors: La Serra, Maria Antonietta, Vidossich, Pietro, Acquistapace, Isabella, Ganesan, Anand K., De Vivo, Marco

Source: Journal of Chemical Information & Modeling; 6/27/2022, Vol. 62 Issue 12, p3023-3033, 11p

12
Computational investigations of polymerase enzymes: Structure, function, inhibition, and biotechnology

Authors: Marco De Vivo, Pietro Vidossich, Elisa Donati, Inacrist Geronimo

Contributors: Geronimo I., Vidossich P., Donati E., De Vivo M.

Source: WIREs Computational Molecular Science. 11

Subject Terms: Materials Chemistry, Computational Mathematics, Physical and Theoretical Chemistry, Computer Science Applications, Biochemistry, Molecular model, Biotechnology, business.industry, business, Transcription (biology), Nucleic Acid Strand, Base pair, Chemistry, Nucleic acid, DNA, chemistry.chemical_compound, RNA, Polymerase, biology.protein, biology, viruses, enzymatic catalysi, molecular simulation, polymerase function, reaction mechanism

File Description: ELETTRONICO

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a31516437eb08b30a403eb043eb102af
https://doi.org/10.1002/wcms.1534

13
Cover Image, Volume 11, Issue 6

Authors: Inacrist Geronimo, Pietro Vidossich, Elisa Donati, Marco Vivo

Source: WIREs Computational Molecular Science. 11

Subject Terms: Materials Chemistry, Computational Mathematics, Physical and Theoretical Chemistry, Computer Science Applications, Biochemistry

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_________::4d8302191a48b9529c31b5c55080fb6d
https://doi.org/10.1002/wcms.1586

14
Functional Implications of Second-Shell Basic Residues for dUTPase DR2231 Enzymatic Specificity

Authors: Marco De Vivo, Pietro Vidossich, Daniele de Sanctis, Cristiano Mota, Luis Eduardo Castañeda Moreno, Gian Pietro Miscione

Source: ACS Catalysis. 10:13825-13833

Subject Terms: Catalysis, General Chemistry, Biochemistry, Chemistry, Substrate specificity, Enzyme, chemistry.chemical_classification, Enzyme specificity, Shell (structure), human activities

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_________::730b3dc9e55de47658a1d6e670046c82
https://doi.org/10.1021/acscatal.0c04148

15
Molecular Mechanism of Phosphate Steering for DNA Binding, Cleavage Localization, and Substrate Release in Nucleases

Authors: Marco De Vivo, Elisa Donati, Pietro Vidossich

Contributors: Donati E., Vidossich P., De Vivo M.

Subject Terms: catalysi, molecular dynamic, nuclease, nucleic acid, phosphate steering, second-shell residues, Catalysis, General Chemistry, Phosphate, chemistry.chemical_compound, chemistry, Substrate (chemistry), Cleavage (embryo), Molecular mechanism, Stereochemistry, DNA

File Description: ELETTRONICO

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f689870c7c728ce7fb6fe8c2698716bb
http://hdl.handle.net/11585/862188

17
Academic Journal
Structural basis for inhibition of the Cation-chloride cotransporter NKCC1 by the diuretic drug bumetanide.

Authors: Zhao, Yongxiang, Roy, Kasturi, Vidossich, Pietro, Cancedda, Laura, De Vivo, Marco, Forbush, Biff, Cao, Erhu

Source: Nature Communications; 5/18/2022, Vol. 13 Issue 1, p1-12, 12p

Subject Terms: BUMETANIDE, DIURETICS, CELL membranes, ORGANIC cation transporters, DRUGS

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18
Alchemical binding free energy calculations guided design of novel human topoisomerase II inhibitors

Authors: Ankita Sarkar, Pietro Vidossich, Marco De Vivo

Source: Biophysical Journal. 121:529a

Subject Terms: Biophysics

Access URL: https://explore.openaire.eu/search/publication?articleId=doi_________::e9e7b7ecfa24b915c8dbcab3262bc8e1
https://doi.org/10.1016/j.bpj.2021.11.2787

20
Modeling Kinetics and Thermodynamics of Guest Encapsulation into the [ML] 12- Supramolecular Organometallic Cage

Authors: Norjmaa, Gantulga, Vidossich, Pietro, Maréchal, Jean-Didier, Ujaque Pérez, Gregori

Source: Dipòsit Digital de Documents de la UAB
Universitat Autònoma de Barcelona

File Description: application/pdf

Access URL: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::36cb1c1ca65fd5aac45ea4d5fde9e72a
https://ddd.uab.cat/record/249787

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