Chemistry
Listando 18 trabajos del autor/autora 38
Lista de trabajos en el área Chemistry
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Article
A synthetic genetic polymer with an uncharged backbone chemistry based on alkyl phosphonate nucleic acids
Arangundy-Franklin, Sebastian; Taylor, Alexander I.; Porebski, Benjamin T.; Genna, Vito; Peak-Chew, Sew; Vaisman, Alexandra; Woodgate, Roger; Orozco, Modesto; Holliger, Philipp
NATURE CHEMISTRY
1755-4330 (2019)
DOI /
10.1038/s41557-019-0255-4
Green accepted
Mentions
10
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0
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6
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0
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Article
An In-Depth Look at DNA Crystals through the Prism of Molecular Dynamics Simulations
Kuzmanic, Antonija; Dans, Pablo D.; Orozco, Modesto
CHEM
2451-9294 (2019)
DOI /
10.1016/j.chempr.2018.12.007
Green accepted, Bronze
Mentions
18
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4
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Article
An artificial DNAzyme RNA ligase shows a reaction mechanism resembling that of cellular polymerases
Aranda, Juan; Terrazas, Montserrat; Gomez, Hansel; Villegas, Nuria; Orozco, Modesto
NATURE CATALYSIS
2520-1158 (2019)
DOI /
10.1038/s41929-019-0290-y
Mentions
3
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0
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5
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Review
Modeling, Simulations, and Bioinformatics at the Service of RNA Structure
Dans, Pablo D.; Gallego, Diego; Balaceanu, Alexandra; Darre, Leonardo; Gomez, Hansel; Orozco, Modesto
CHEM
2451-9294 (2019)
DOI /
10.1016/j.chempr.2018.09.015
Hybrid
Mentions
11
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0
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3
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Article
The Origins and the Biological Consequences of the Pur/Pyr DNA center dot RNA Asymmetry
Terrazas, Montserrat; Genna, Vito; Portella, Guillem; Villegas, Nuria; Sanchez, Dani; Arnan, Carme; Pulido-Quetglas, Carlos; Johnson, Rory; Guigo, Roderic; Brun-Heath, Isabelle; Avino, Anna; Eritja, Ramon; Orozco, Modesto
CHEM
2451-9294 (2019)
DOI /
10.1016/j.chempr.2019.04.002
Bronze, Green accepted, Green submitted
Mentions
22
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0
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0
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Article
Bioactive Conformational Ensemble Server and Database. A Public Framework to Speed Up In Silico Drug Discovery
Zivanovic, Sanja; Bayarri, Genis; Colizzi, Francesco; Moreno, David; Lluis Gelpi, Josep; Soliva, Robert; Hospital, Adam; Orozco, Modesto
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2020)
DOI /
10.1021/acs.jctc.0c00305
Mentions
10
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Review
Surviving the deluge of biosimulation data
Hospital, Adam; Battistini, Federica; Soliva, Robert; Gelpi, Josep Lluis; Orozco, Modesto
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
1759-0876 (2019)
DOI /
10.1002/wcms.1449
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9
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0
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Article
DFFR: A New Method for High-Throughput Recalibration of Automatic Force-Fields for Drugs
Moreno, David; Zivanovic, Sanja; Colizzi, Francesco; Hospital, Adam; Aranda, Juan; Soliva, Robert; Orozco, Modesto
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2020)
DOI /
10.1021/acs.jctc.0c00306
Mentions
4
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0
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A multifunctional toolkit for target-directed cancer therapy
Terrazas, Montserrat; Sanchez, Dani; Battistini, Federica; Villegas, Nuria; Brun-Heath, Isabelle; Orozco, Modesto
CHEMICAL COMMUNICATIONS
1359-7345 (2019)
DOI /
10.1039/c8cc08823c
Mentions
5
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0
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0
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0
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Article
Prevalent Sequences in the Human Genome Can Form Mini i-Motif Structures at Physiological pH
Mir, Bartomeu; Serrano, Israel; Buitrago, Diana; Orozco, Modesto; Escaja, Nuria; Gonzalez, Carlos
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
0002-7863 (2017)
DOI /
10.1021/jacs.7b07383
Green accepted
Mentions
6
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0
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Article
Proton Dynamics in Protein Mass Spectrometry
Li, Jinyu; Lyu, Wenping; Rossetti, Giulia; Konijnenberg, Albert; Natalello, Antonino; Ippoliti, Emiliano; Orozco, Modesto; Sobott, Frank; Grandori, Rita; Carloni, Paolo
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2017)
DOI /
10.1021/acs.jpclett.7b00127
Green published, Bronze
Mentions
4
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0
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0
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0
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Article
The Role of Unconventional Hydrogen Bonds in Determining BII Propensities in B-DNA
Balaceanu, Alexandra; Pasi, Marco; Dans, Pablo D.; Hospital, Adam; Lavery, Richard; Orozco, Modesto
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
1948-7185 (2017)
DOI /
10.1021/acs.jpclett.6b02451
Green accepted
Mentions
7
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0
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0
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Article
Compaction of Duplex Nucleic Acids upon Native Electrospray Mass Spectrometry
Porrini, Massimiliano; Rosu, Frederic; Rabin, Clemence; Darre, Leonardo; Gomez, Hansel; Orozco, Modesto; Gabelica, Valerie
ACS CENTRAL SCIENCE
2374-7943 (2017)
DOI /
10.1021/acscentsci.7b00084
Green published, Green submitted, Gold
Mentions
4
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0
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0
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Article
Exploring the Conformational Landscape of Bioactive Small Molecules
Zivanovic, Sanja; Colizzi, Francesco; Moreno, David; Hospital, Adam; Soliva, Robert; Orozco, Modesto
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2020)
DOI /
10.1021/acs.jctc.0c00304
Mentions
2
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0
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Article
The Multiple Roles of Waters in Protein Solvation
Hospital, Adam; Candotti, Michela; Gelpi, Josep Lluis; Orozco, Modesto
JOURNAL OF PHYSICAL CHEMISTRY B
1520-6106 (2017)
DOI /
10.1021/acs.jpcb.6b09676
Green accepted, Green submitted
Mentions
2
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0
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0
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0
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Article
Predicting the Limit of Intramolecular Hydrogen Bonding with Classical Molecular Dynamics
Colizzi, Francesco; Hospital, Adam; Zivanovic, Sanja; Orozco, Modesto
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
1433-7851 (2019)
DOI /
10.1002/anie.201810922
Green accepted
Mentions
1
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0
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0
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0
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Article
Discrete Molecular Dynamics Approack to the Study of Disordered and Aggregating Proteins
Emperador, Agusti; Orozco, Modesto
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
1549-9618 (2017)
DOI /
10.1021/acs.jctc.6b01153
Green accepted
Mentions
1
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0
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0
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Article
Inhibition of Human Enhancer of Zeste Homolog 2 with Tambjamine Analogs
Kotev, Martin; Manuel-Manresa, Pilar; Hernando, Elsa; Soto-Cerrato, Vanessa; Orozco, Modesto; Quesada, Roberto; Perez-Tomas, Ricardo; Guallar, Victor
JOURNAL OF CHEMICAL INFORMATION AND MODELING
1549-9596 (2017)
DOI /
10.1021/acs.jcim.7b00178
Green accepted
