M. Torrent

发表

Theoretical Studies of Some Transition-Metal-Mediated Reactions of Industrial and Synthetic Importance.

G. Frenking, M. Solà, M. Torrent, 2000, Chemical reviews.

A density functional study of possible intermediates of the reaction of dioxygen molecule with non-heme iron complexes. 1. N-side versus O-side mechanism with water-free model

K. Morokuma, H. Basch, M. Torrent, 2001 .

Discovery of 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): a potent, orally bioavailable HIV-1 non-nucleoside reverse transcriptase inhibitor with improved potency against key mutant viruses.

G. McGaughey, Youwei Yan, M. Lai, 2008, Journal of medicinal chemistry.

The design and synthesis of diaryl ether second generation HIV-1 non-nucleoside reverse transcriptase inhibitors (NNRTIs) with enhanced potency versus key clinical mutations.

G. McGaughey, Youwei Yan, M. Lai, 2008, Bioorganic & medicinal chemistry letters.

Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.

G. McGaughey, Youwei Yan, M. Lai, 2011, Journal of medicinal chemistry.

M. Solà, M. Duran, M. Torrent, 1996 .

Effects of the protein environment on the structure and energetics of active sites of metalloenzymes. ONIOM study of methane monooxygenase and ribonucleotide reductase.

K. Morokuma, H. Schlegel, T. Vreven, 2002, Journal of the American Chemical Society.

Kinesin spindle protein (KSP) inhibitors. Part 7: Design and synthesis of 3,3-disubstituted dihydropyrazolobenzoxazines as potent inhibitors of the mitotic kinesin KSP.

Youwei Yan, P. Coleman, L. Kuo, 2007, Bioorganic & medicinal chemistry letters.

An assessment of density functional theory on evaluating activation barriers for small organic gas-phase rearrangement reactions

Miquel Solà, Miquel Duran, M. Solà, 1996 .

A Density Functional Study of Possible Intermediates of the Reaction of Dioxygen Molecule with Nonheme Iron Complexes. 2. “Water-Assisted” Model Studies

K. Morokuma, A. G. Musaev, H. Basch, 2001 .

Density Functional Study of the [2+2]- and [2+3]-Cycloaddition Mechanisms for the Osmium-Catalyzed Dihydroxylation of Olefins

M. Solà, M. Duran, T. Ziegler, 1997 .

Investigation of biaryl heterocycles as inhibitors of Wee1 kinase.

K. Bromberg, Eric F. Johnson, N. Soni, 2019, Bioorganic & medicinal chemistry letters.

Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer

L. Lam, Chaohong Sun, S. Rosenberg, 2020, Nature.

Discovery and biochemical characterization of selective ATP competitive inhibitors of the human mitotic kinesin KSP.

P. Coleman, C. Buser, K. Rickert, 2008, Archives of biochemistry and biophysics.

Kinesin spindle protein (KSP) inhibitors. Part 4: Structure-based design of 5-alkylamino-3,5-diaryl-4,5-dihydropyrazoles as potent, water-soluble inhibitors of the mitotic kinesin KSP.

Youwei Yan, P. Coleman, Christopher D. Cox, 2006, Bioorganic & medicinal chemistry letters.

Exploitation of Castration-Resistant Prostate Cancer Transcription Factor Dependencies by the Novel BET Inhibitor ABBV-075

T. Uziel, D. Albert, Emily J. Faivre, 2016, Molecular Cancer Research.

Discovery of N-ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET bromodomain inhibitor with selectivity for the second bromodomain.

K. Longenecker, P. Kovar, L. Hasvold, 2020, Journal of medicinal chemistry.

Discovery of Spirohydantoins as Selective, Orally Bioavailable Inhibitors of p300/CBP Histone Acetyltransferases.

Mikkel A. Algire, K. Bromberg, M. Michaelides, 2021, Bioorganic & medicinal chemistry letters.

Turning a Substrate Peptide into a Potent Inhibitor for the Histone Methyltransferase SETD8.

A. Petros, Chaohong Sun, M. Vedadi, 2016, ACS medicinal chemistry letters.

5-Piperazinyl pyridine carboxamide bradykinin B1 antagonists.

M. Bock, S. Kuduk, T. Prueksaritanont, 2006, Bioorganic & medicinal chemistry letters.

A TSHb Variant with Impaired Immunoreactivity but Intact Biological Activity and Its Clinical Implications

S. Refetoff, M. Torrent, A. Dumitrescu, 2015 .

Preparation and characterization of pyridinium-n-carboxylate trioxochromate (VI) (n=3, 4) and pyridinium-4-carboxylic pyridine-4 carboxylate trioxochromate (VI) hemihydrate

J. M. Arrieta, J. Mestres, Pedro Pedro Gili= Pedro Gili Trujillo Gili, 1997 .

Mechanisms for the formation of epoxide and chlorine-containing products in the oxidation of ethylene by chromyl chloride: a density functional study

M. Solà, M. Duran, T. Ziegler, 1999 .

Molybdenum VI Dioxodihalides: Agreement with Experiment and Prediction of Unknown Properties Through Density Functional Theory

Pedro Pedro Gili= Pedro Gili Trujillo Gili, M. Solà, M. Duran, 1997 .

The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.

Mikkel A. Algire, K. Comess, Chaohong Sun, 2017, Nature chemical biology.

Kinesin spindle protein (KSP) inhibitors. Part 3: synthesis and evaluation of phenolic 2,4-diaryl-2,5-dihydropyrroles with reduced hERG binding and employment of a phosphate prodrug strategy for aqueous solubility.

W. F. Hoffman, Youwei Yan, L. Kuo, 2006, Bioorganic & medicinal chemistry letters.

Exploring chromium (VI) dioxodihalides chemistry: Is density functional theory the most suitable tool?

Pedro Pedro Gili= Pedro Gili Trujillo Gili, M. Solà, M. Duran, 1996 .

Kinesin spindle protein (KSP) inhibitors. Part 1: The discovery of 3,5-diaryl-4,5-dihydropyrazoles as potent and selective inhibitors of the mitotic kinesin KSP.

Paul J Coleman, Youwei Yan, P. Coleman, 2005, Bioorganic & medicinal chemistry letters.

A Density Functional Study of [2+3] versus [2+2] Addition of Ethylene to Chromium-Oxygen Bonds in Chromyl Chloride.

Tom Ziegler, T. Ziegler, M. Torrent, 1998, Inorganic chemistry.

The Dötz Reaction: A Chromium Fischer Carbene-Mediated Benzannulation Reaction

M. Solà, M. Duran, M. Torrent, 2002 .

Novel mechanistic proposal for the Dötz reaction derived from a density functional study: the chromahexatriene route

M. Torrent, 1998 .

Theoretical Study of the Mechanism of Oxidative Addition of Allyl−Ammonium and −Iminium Salts to Low-Valent Metal Complexes. Rationalization of Selective C−N and N−H Bond Activation

K. Morokuma, M. Torrent, ‡. A. Djamaladdin G. Musaev, 2000 .

Calculation of Nuclear Quadrupole Parameters in Imidazole Derivatives and Extrapolation to Coenzyme B12. A Theoretical Study

K. Morokuma, D. Musaev, M. Torrent, 1999 .

WD40 repeat domain proteins: a novel target class?

Mike Tyers, Matthieu Schapira, Cheryl H. Arrowsmith, 2017, Nature Reviews Drug Discovery.

Analysis of the changes on the potential energy surface of Menshutkin reactions induced by external perturbations

Emili Besalú, Xavier Fradera, Miquel Solà, 1996 .

Analysis of the activating mutations within the activation loop of leukemia targets Flt-3 and c-Kit based on protein homology modeling.

Laura Sepp-Lorenzino, L. Sepp-Lorenzino, B. Pan, 2004, Journal of molecular graphics & modelling.

The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.

Jun Guo, Kenneth M Comess, Haizhong Zhu, 2017, Nature chemical biology.

THEORETICAL STUDY OF GAS-PHASE REACTIONS OF FE(CO)5 WITH OH- AND THEIR RELEVANCE FOR THE WATER GAS SHIFT REACTION

Gernot Frenking, Miquel Solà, G. Frenking, 1999 .

Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours

Chunaram Choudhary, Saul H. Rosenberg, Ronen Marmorstein, 2017, Nature.

Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.

A. Vasudevan, Chaohong Sun, C. Jakob, 2018, Journal of medicinal chemistry.

Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase

Djamaladdin G. Musaev, Keiji Morokuma, Harold Basch, 2002, J. Comput. Chem..

Kinesin spindle protein (KSP) inhibitors. 9. Discovery of (2S)-4-(2,5-difluorophenyl)-n-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-2-(hydroxymethyl)-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide (MK-0731) for the treatment of taxane-refractory cancer.

Youwei Yan, P. Coleman, Christopher D. Cox, 2008, Journal of medicinal chemistry.

Quantum Chemical Study on Oxygen-17 and Nitrogen-14 Nuclear Quadrupole Coupling Parameters of Peptide Bonds in α-Helix and β-Sheet Proteins

K. Morokuma, M. Torrent, Danielle Mansour, 2001 .

A TSHβ Variant with Impaired Immunoreactivity but Intact Biological Activity and Its Clinical Implications.

S. Refetoff, M. Torrent, A. Dumitrescu, 2015, Thyroid.

Characterization of inhibitor binding to human kinesin spindle protein by site-directed mutagenesis.

C. Buser, M. Torrent, K. Hamilton, 2009, Archives of biochemistry and biophysics.

Substituted tetrahydroquinolines as potent allosteric inhibitors of reverse transcriptase and its key mutants.

Kenneth D Anderson, Youwei Yan, M. Lai, 2009, Bioorganic & Medicinal Chemistry Letters.

Weighing Different Mechanistic Proposals for the Dötz Reaction: A Density Functional Study

M. Solà, M. Duran, M. Torrent, 1999 .

Density Functional Study on the Preactivation Scenario of the Dötz Reaction: Carbon Monoxide Dissociation versus Alkyne Addition as the First Reaction Step

M. Solà, M. Duran, M. Torrent, 1998 .

Pyrimidine-based tricyclic molecules as potent and orally efficacious inhibitors of wee1 kinase.

K. Bromberg, Eric F. Johnson, N. Soni, 2015, ACS medicinal chemistry letters.

Identiﬁcation and Characterization of a Novel Nonsecosteroidal Vitamin D Receptor Ligand

P. Hodor, Nan Wei, J. Fisher, 2022 .

MeDALL (Mechanisms of the Development of ALLergy): an integrated approach from phenotypes to systems medicine

F Kauffmann, J Bousquet, D Maier, 2011, Allergy.

Discovery of a selective catalytic p300/CBP inhibitor that targets lineage-specific tumours

Mikkel A. Algire, L. Lam, Chaohong Sun, 2017, Nature.

PINNED: identifying characteristics of druggable human proteins using an interpretable neural network

Z. Dezső, A. Vasanthakumar, M. Torrent, 2023, Journal of Cheminformatics.

SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.

Hongyu Zhao, Ying Wang, Zhiqin Ji, 2017, Bioorganic & medicinal chemistry letters.

The EED protein-protein interaction inhibitor A-395 inactivates the PRC2 complex.

Mikkel A. Algire, Justin D Dietrich, A. Petros, 2017, Nature chemical biology.

SAR of amino pyrrolidines as potent and novel protein-protein interaction inhibitors of the PRC2 complex through EED binding.

Mikkel A. Algire, Justin D Dietrich, P. Richardson, 2017, Bioorganic & medicinal chemistry letters.

Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.

C. Jakob, M. Ochse, M. Torrent, 2019, Bioorganic & medicinal chemistry letters.

Pyrimidine-based tricyclic molecules as potent and orally efficacious inhibitors of wee1 kinase.

K. Bromberg, Eric F. Johnson, N. Soni, 2015, ACS medicinal chemistry letters.

Kinesin spindle protein (KSP) inhibitors. Part 2: the design, synthesis, and characterization of 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP.

W. F. Hoffman, Youwei Yan, P. Coleman, 2006, Bioorganic & medicinal chemistry letters.

Model studies of the structures, reacitivities, and reaction mechanisms of metalloenzymes

Thom Vreven, Dmitry V. Khoroshun, Djamaladdin G. Musaev, 2001, IBM J. Res. Dev..