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List of works by Federico Gago

(F)uridylylated Peptides Linked to VPg1 of Foot-and- Mouth Disease Virus (FMDV): Design, Synthesis and X-Ray Crystallography of the Complexes with FMDV RNA-Dependent RNA Polymerase

scientific article published on 26 June 2019

3'-[4-Aryl-(1,2,3-triazol-1-yl)]-3'-deoxythymidine analogues as potent and selective inhibitors of human mitochondrial thymidine kinase

scientific article published on April 2010

334 Aplidin: first in class compound targeting EEF1A in tumor cells

3D-QSAR methods on the basis of ligand-receptor complexes. Application of COMBINE and GRID/GOLPE methodologies to a series of CYP1A2 ligands

scientific article published on 01 May 2000

5′-Trityl-Substituted Thymidine Derivatives as a Novel Class of Antileishmanial Agents:Leishmania infantumEndoG as a Potential Target

article

7,5'-O-dibenzylinosines: synthesis and studies on their conformational properties

scientific article published in January 2007

A 3.(ET743)-DNA complex that both resembles an RNA-DNA hybrid and mimicks zinc finger-induced DNA structural distortions.

scientific article published in February 2002

A Designed Non-Peptidic Receptor that Mimics the Phosphocholine Binding Site of the McPC603 Antibody

A Series of Enthalpically Optimized Docetaxel Analogues Exhibiting Enhanced Antitumor Activity and Water Solubility

scientific article published on 23 January 2018

A Supramolecular Stabilizer of the 14-3-3ζ/ERα Protein-Protein Interaction with a Synergistic Mode of Action

scientific article published on 11 February 2020

A computational fragment-based de novo design protocol guided by ligand efficiency indices (LEI).

scientific article published on January 2015

A molecular dynamics study of the bis-intercalation complexes of echinomycin with d(ACGT)2 and d(TCGA)2: rationale for sequence-specific Hoogsteen base pairing

article

A reverse combination of structure-based and ligand-based strategies for virtual screening

scientific article

A structure-based design of new C2- and C13-substituted taxanes: tubulin binding affinities and extended quantitative structure-activity relationships using comparative binding energy (COMBINE) analysis.

scientific article

ALFA: automatic ligand flexibility assignment.

scientific article published on 15 January 2014

Ab InitioStudy of Stacking Interactions in A- and B-DNA

Abasic analogues of TSAO-T as the first sugar derivatives that specifically inhibit HIV-1 reverse transcriptase.

scientific article published on November 1998

Abstract 5467: Role of the eukaryotic elongation factor eEF1A in the mechanism of action of Aplidin

Antitumor activity, X-ray crystal structure, and DNA binding properties of thiocoraline A, a natural bisintercalating thiodepsipeptide

scientific article published on 16 June 2007

Antiviral agents: structural basis of action and rational design

scientific article published on January 2013

Assessment by molecular dynamics simulations of the structural determinants of DNA-binding specificity for transcription factor Sp1.

scientific article

Assessment of Solvation Effects on Calculated Binding Affinity Differences: Trypsin Inhibition by Flavonoids as a Model System for Congeneric Series

article

AtlasCBS: a web server to map and explore chemico-biological space.

scientific article

Atomistic insight into sequence-directed DNA bending and minicircle formation propensity in the absence and presence of phased A-tracts

scientific article published on 16 January 2020

Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2)

article

Azinium-N-(2′-azinyl)aminides: synthesis, structure and reactivity

Azino-Fused Benzimidazolium Salts as DNA Intercalating Agents. 2

Bending of DNA upon Binding of Ecteinascidin 743 and Phthalascidin 650 Studied by Unrestrained Molecular Dynamics Simulations

article

Benzo[f]azino[2,1-a]phthalazinium cations: novel DNA intercalating chromophores with antiproliferative activity

scientific article published on February 2004

Binding of 5'-GMP to the GluR2 AMPA receptor: insight from targeted molecular dynamics simulations

scientific article published in November 2005

Binding of eEF1A2 to the RNA-dependent protein kinase PKR modulates its activity and promotes tumour cell survival

scientific article published on 13 November 2018

CRDOCK: an ultrafast multipurpose protein-ligand docking tool

scientific article

Chapter 10. COMparative BINding Energy (COMBINE) Analysis as a Structure-Based 3D-QSAR Method

Characterization of pyrimidine nucleoside phosphorylase of Mycoplasma hyorhinis: implications for the clinical efficacy of nucleoside analogues

scientific article published on July 2012

Chemometrical identification of mutations in HIV-1 reverse transcriptase conferring resistance or enhanced sensitivity to arylsulfonylbenzonitriles

scientific article published in March 2004

Cold-induced aldimine bond cleavage by Tris in Bacillus subtilis alanine racemase

scientific article published on 01 April 2019

Comparative binding energy (COMBINE) analysis supports a proposal for the binding mode of epothilones to β-tubulin

scientific article published on 16 March 2012

Comparative binding energy COMBINE analysis for understanding the binding determinants of type II dehydroquinase inhibitors.

scientific article published on March 2013

Comparative binding energy analysis of HIV-1 protease inhibitors: incorporation of solvent effects and validation as a powerful tool in receptor-based drug design.

scientific article published in March 1998

Comparative binding energy analysis of haloalkane dehalogenase substrates: modelling of enzyme-substrate complexes by molecular docking and quantum mechanical calculations.

scientific article published on May 2003

Comparative binding energy analysis of the substrate specificity of haloalkane dehalogenase from Xanthobacter autotrophicus GJ10.

scientific article published in July 2001

Comparison of hydrocarbon-and lactam-bridged cyclic peptides as dimerization inhibitors of Leishmania infantum trypanothione reductase

scholarly article in RSC Advances, vol. 5 no. 69, 2015

Comparison of ultra-fast 2D and 3D ligand and target descriptors for side effect prediction and network analysis in polypharmacology.

scientific article

Computational Approaches to Enzyme Inhibition by Marine Natural Products in the Search for New Drugs

scientific article published in 2023

Conservation of antiviral activity and improved selectivity in PMEO-DAPym upon pyrimidine to triazine scaffold hopping

scientific article published on 11 August 2015

Cross-talk between nucleotide excision and homologous recombination DNA repair pathways in the mechanism of action of antitumor trabectedin

scientific article

Current perspective of information technologies in drug discovery

scientific article published on 01 November 2002

DNA as a target for drug action

DNA sequence-specific reading by echinomycin: role of hydrogen bonding and stacking interactions.

scientific article published on May 1994

DNA structural similarity in the 2:1 complexes of the antitumor drugs trabectedin (Yondelis) and chromomycin A3 with an oligonucleotide sequence containing two adjacent TGG binding sites on opposing strands

scientific article

Development of a new family of conformationally restricted peptides as potent nucleators of beta-turns. Design, synthesis, structure, and biological evaluation of a beta-lactam peptide analogue of melanostatin

scientific article

Diastereoselective reactions in glycine templates containing an ent-ardeemin fragment

scientific article

Differential phenotypic expression of a novel PDHA1 mutation in a female monozygotic twin pair

scientific article published on 31 October 2019

Dimerization inhibitors of HIV-1 reverse transcriptase, protease and integrase: a single mode of inhibition for the three HIV enzymes?

scientific article published on 28 June 2006

Discovery of TSAO derivatives with an unusual HIV-1 activity/resistance profile

scientific article published on 29 March 2006

Distinct binding of cetirizine enantiomers to human serum albumin and the human histamine receptor H1

scientific article published on 23 June 2020

Engineering Erg10 Thiolase from Saccharomyces cerevisiae as a Synthetic Toolkit for the Production of Branched-Chain Alcohols.

scientific article published on 23 January 2018

Enzymatic Synthesis of Therapeutic Nucleosides using a Highly Versatile Purine Nucleoside 2’-DeoxyribosylTransferase from Trypanosoma brucei

scholarly article by Elena Pérez et al published 9 August 2018 in ChemCatChem

Esterase LpEst1 from Lactobacillus plantarum: a novel and atypical member of the αβ hydrolase superfamily of enzymes

scientific article

Exploring acyclic nucleoside analogues as inhibitors of Mycobacterium tuberculosis thymidylate kinase.

scientific article

First example of peptides targeting the dimer interface of Leishmania infantum trypanothione reductase with potent in vitro antileishmanial activity

scientific article published on 13 April 2017

Further Insight into the DNA Recognition Mechanism of Trabectedin from the Differential Affinity of Its Demethylated Analogue Ecteinascidin ET729 for the Triplet DNA Binding Site CGA

Generation of endoplasmic reticulum stress and inhibition of autophagy by plitidepsin induces proteotoxic apoptosis in cancer cells

scientific article published on 06 December 2019

Group contributions to hydrophobicity and elution behaviour of pyridine derivatives in reversed-phase high-performance liquid chromatography

scientific article published on 01 September 1988

Guanidinium receptors as enantioselective amino acid membrane carriers

scientific article published in July 2003

HIV protease inhibition: limited recent progress and advances in understanding current pitfalls

scientific article published on January 2004

Hakin-1, a New Specific Small-Molecule Inhibitor for the E3 Ubiquitin-Ligase Hakai, Inhibits Carcinoma Growth and Progression

scientific article published on 23 May 2020

High sequence conservation of human immunodeficiency virus type 1 reverse transcriptase under drug pressure despite the continuous appearance of mutations

scientific article

Hiv-1 Specific Reverse Transcriptase Inhibitors: why are Tsao-Nucleosides so Unique?

article

Human mitochondrial thymidine kinase is selectively inhibited by 3'-thiourea derivatives of beta-thymidine: identification of residues crucial for both inhibition and catalytic activity

scientific article published on 20 February 2009

Hydrophobicity Measurements by HPLC: A New Approach to π Constants

Hydrophobicity of Heterocycles: Determination of the Ï Values of Substituents on N-Phenylpyrazoles

scholarly article by Federico Gago et al published 1994 in QSAR and Combinatorial Science

Identification of NEK3 and MOK as novel targets for lithium

scientific article published on 12 February 2019

Identification of a putative binding site for [2',5'-bis-O-(tert-butyldimethylsilyl)-beta-D-ribofuranosyl]-3'-spiro-5''-(4''-amino-1'',2''-oxathiole-2'',2''-dioxide)thymine (TSAO) derivatives at the p51-p66 interface of HIV-1 reverse transcriptase.

scientific article published in June 2001

Identification of aldo-keto reductase AKR1B10 as a selective target for modification and inhibition by prostaglandin A(1): implications for antitumoral activity

scientific article published on 20 April 2011

Identification of aspartic acid-203 in human thymidine phosphorylase as an important residue for both catalysis and non-competitive inhibition by the small molecule "crystallization chaperone" 5'-O-tritylinosine (KIN59).

scientific article published on 21 April 2009

Identification of the minimal conserved structure of HIV-1 protease in the presence and absence of drug pressure

scientific article

Implications of a consensus recognition site for phosphatidylcholine separate from the active site in cobra venom phospholipases A2.

scientific article published on March 1992

Improved proteolytic stability and potent activity against Leishmania infantum trypanothione reductase of α/β-peptide foldamers conjugated to cell-penetrating peptides

scientific article

Improving the antiviral efficacy and selectivity of HIV-1 reverse transcriptase inhibitor TSAO-T by the introduction of functional groups at the N-3 position

scientific article published on October 2005

Improving the selectivity of acyclic nucleoside analogues as inhibitors of human mitochondrial thymidine kinase: replacement of a triphenylmethoxy moiety with substituted amines and carboxamides

scientific article published in September 2003

In memoriam. Angel Ramírez Ortiz (1966-2008).

scientific article published in January 2010

In silico activation of Src tyrosine kinase reveals the molecular basis for intramolecular autophosphorylation

scientific article published on October 2004

Increased DNA Binding Specificity for Antitumor Ecteinascidin 743 through Protein−DNA Interactions?

article

Inhibitory effects of marine-derived DNA-binding anti-tumour tetrahydroisoquinolines on the Fanconi anaemia pathway

scientific article published on October 2013

Intramolecular cation-pi interactions as the driving force to restrict the conformation of certain nucleosides

scientific article published in March 2010

Introduction of a fluorine atom at C3 of 3-deazauridine shifts its antimetabolic activity from inhibition of CTP synthetase to inhibition of orotidylate decarboxylase, an early event in the de novo pyrimidine nucleotide biosynthesis pathway

scientific article published on 24 June 2012

Investigation of the complexation between cyclodextrins and medetomidine enantiomers by capillary electrophoresis, NMR spectroscopy and molecular modeling

scholarly article by Sulaiman Krait et al published September 2018 in Journal of Chromatography

Leishmania infantum EndoG is an endo/exo-nuclease essential for parasite survival

scientific article

Leishmania infantum expresses a mitochondrial nuclease homologous to EndoG that migrates to the nucleus in response to an apoptotic stimulus

scientific article published on 2 October 2008

MM-ISMSA: An Ultrafast and Accurate Scoring Function for Protein–Protein Docking

scientific article published on 14 August 2012

Making sense of the past: hyperstability of ancestral thioredoxins explained by free energy simulations

scientific article published on 21 August 2017

Mechanistic Insight into the Catalytic Activity of ββα-Metallonucleases from Computer Simulations: Vibrio vulnificus Periplasmic Nuclease as a Test Case

article

Mechanistic insight into the reaction catalysed by bacterial type II dehydroquinases

scientific article published on 01 March 2014

Microwave-assisted synthesis of potent PDE7 inhibitors containing a thienopyrimidin-4-amine scaffold

scientific article

Mitochondrial thymidine kinase inhibitors

scientific article

Modelling and simulation: a computational perspective in anticancer drug discovery

scientific article published in September 2004

Modulation of Binding Strength in Several Classes of Active Site Inhibitors of Acetylcholinesterase Studied by Comparative Binding Energy Analysis

article

Molecular Recognition of Epothilones by Microtubules and Tubulin Dimers Revealed by Biochemical and NMR Approaches

scientific article published on 25 February 2014

Molecular Simulations Of Drug–Receptor Complexes In Anticancer Research ⬇️

scientific article published on October 1, 2012

Molecular determinants of topoisomerase I poisoning by lamellarins: comparison with camptothecin and structure-activity relationships

scientific article

Molecular dynamics simulations of the bis-intercalated complexes of ditercalinium and Flexi-Di with the hexanucleotide d(GCGCGC)2: theoretical analysis of the interaction and rationale for the sequence binding specificity.

scientific article

Molecular dynamics simulations of the conformational changes of the glutamate receptor ligand-binding core in the presence of glutamate and kainate.

scientific article published in September 2001

Molecular model of the interaction of bee venom phospholipase A2 with manoalide

scientific article

Molecular pharmacology and antitumor activity of Zalypsis in several human cancer cell lines

scientific article

Mutational pathways, resistance profile, and side effects of cyanovirin relative to human immunodeficiency virus type 1 strains with N-glycan deletions in their gp120 envelopes

scientific article

N1-Substituted Thymine Derivatives as Mitochondrial Thymidine Kinase (TK-2) Inhibitors

scientific article published on 01 December 2006

New 3-(2'-benzimidazolyl)imidazo[1,2-a]pyridinium mesomeric betaines. Synthesis and structure

article

New horizons in pharmaceutical biotechnology by melding biology and engineering

scholarly article by Ajikumar Parayil & Federico Gago published December 2013 in Current Opinion in Biotechnology

Novel DNA Intercalators Based on the Pyridazino[1‘,6‘:1,2]pyrido[4,3-b]indol-5-inium System

One left-handed strand in DNA-oligonucleotide complexes?

scientific article published on January 1989

One-pot synthesis of vinca alkaloids-phomopsin hybrids

scientific article

Optimization of taxane binding to microtubules: binding affinity dissection and incremental construction of a high-affinity analog of paclitaxel.

scientific article

Overcoming the inadequacies or limitations of experimental structures as drug targets by using computational modeling tools and molecular dynamics simulations

scientific article published on October 2007

PM01183, a new DNA minor groove covalent binder with potent in vitro and in vivo anti-tumour activity

scientific article

Pharmacological properties of nimesulide

scholarly article

Phosphorylation modulates the alpha-helical structure and polymerization of a peptide from the third tau microtubule-binding repeat.

scientific article published on 5 November 2004

Prediction of drug binding affinities by comparative binding energy analysis

scientific article published in July 1995

Probing the dimerization interface of Leishmania infantum trypanothione reductase with site-directed mutagenesis and short peptides

scientific article published on 6 June 2013

Protein-protein interactions at an enzyme-substrate interface: characterization of transient reaction intermediates throughout a full catalytic cycle of Escherichia coli thioredoxin reductase.

scientific article published in January 2010

Pyrrolopyrimidine vs Imidazole-Phenyl-Thiazole Scaffolds in Nonpeptidic Dimerization Inhibitors of Leishmania infantum Trypanothione Reductase

scientific article published on 23 April 2019

Quantitative analysis of substrate specificity of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26.

scientific article

Rational modification of human synovial fluid phospholipase A2 inhibitors

article

Rationale for the opposite stereochemistry of the major monoadducts and interstrand crosslinks formed by mitomycin C and its decarbamoylated analogue at CpG steps in DNA and the effect of cytosine modification on reactivity

Reaction mechanism of nucleoside 2'-deoxyribosyltransferases: free-energy landscape supports an oxocarbenium ion as the reaction intermediate

scientific article published on 01 August 2019

Recent advances in thymidine kinase 2 (TK2) inhibitors and new perspectives for potential applications

scientific article published on January 2012

Reflections on the past 25 years ⬇️

scientific article published on December 21, 2011

Relevance of the Fanconi anemia pathway in the response of human cells to trabectedin

scientific article

Reliability of CoMFA Models: Effects of Data Scaling and Variable Selection using a Set of Human Synovial Fluid Phospholipase A2InhibitorsPrediction of Drug Binding Affinities by Comparative Binding Energy Analysis

scholarly article by Angel R. Ortiz et al published December 1997 in Journal of Medicinal Chemistry

Reliability of comparative molecular field analysis models: effects of data scaling and variable selection using a set of human synovial fluid phospholipase A2 inhibitors.

scientific article published on March 1997

Role of histidine-85 in the catalytic mechanism of thymidine phosphorylase as assessed by targeted molecular dynamics simulations and quantum mechanical calculations.

scientific article published on January 2004

Role of stacking interactions in the binding sequence preferences of DNA bis-intercalators: insight from thermodynamic integration free energy simulations.

scientific article

Scaffold Simplification Strategy Leads to a Novel Generation of Dual Human Immunodeficiency Virus and Enterovirus-A71 Entry Inhibitors

scientific article published on 20 December 2019

Simulation of alternative binding modes in a structure-based QSAR study of HIV-1 protease inhibitors ⬇️

scientific article published on December 1, 1997

Solution Structure Determination by Two-Dimensional1H NMR of ω-Conotoxin MVIID, a Calcium Channel Blocker Peptide

scientific article published on 01 January 1999

Solution structure and stability of a disulfide cross-linked nucleopeptide duplex

scientific article published in October 2003

Solution structure and stability of tryptophan-containing nucleopeptide duplexes

scientific article

Stacking Interactions and Intercalative DNA Binding ⬇️

scientific article published on March 1, 1998

Stepwise dissection and visualization of the catalytic mechanism of haloalkane dehalogenase LinB using molecular dynamics simulations and computer graphics

scientific article published on 24 March 2007

Structural Determinants of the Dictyostatin Chemotype for Tubulin Binding Affinity and Antitumor Activity Against Taxane- and Epothilone-Resistant Cancer Cells.

scientific article published on 13 December 2016

Structural basis for the binding of didemnins to human elongation factor eEF1A and rationale for the potent antitumor activity of these marine natural products

scientific article

Structural rationale for the chiral separation and migration order reversal of clenpenterol enantiomers in capillary electrophoresis using two different β-cyclodextrins

scientific article published on 12 October 2017

Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B.

scientific article published on 12 September 2017

Structure, physiological role, and specific inhibitors of human thymidine kinase 2 (TK2): present and future.

scientific article published on September 2008

Structure-Guided Tuning of a Selectivity Switch towards Ribonucleosides in Trypanosoma brucei Purine Nucleoside 2'-Deoxyribosyltransferase

scientific article published on 18 October 2019

Suppression of the acuH13 and acuH31 nonsense mutations in the carnitine/acylcarnitine translocase (acuH) gene of Aspergillus nidulans by the G265S substitution in the domain 2 of the release factor eRF1

article

Synthesis and Cytotoxicity of 7,9-O-Linked Macrocyclic C-Seco Taxoids

scientific article published on 08 June 2019

Synthesis and DNA Binding Properties of γ-Carbolinium Derivatives and Benzologues

Synthesis and Structural, Biochemical, and Pharmacological Study of 30-Acyloxy-3a-methoxycarbonyltropane Derivatives

scientific article published on 01 August 1993

Synthesis and evaluation of hybrid molecules targeting the vinca domain of tubulin

scientific article

Synthesis and structural characterization of pyrimidine bi- and tricyclic nucleosides with sugar puckers conformationally locked into the eastern region of the pseudorotational cycle.

scientific article published in August 2003

Synthesis of 3' '-substituted TSAO derivatives with anti-HIV-1 and anti-HIV-2 activity through an efficient palladium-catalyzed cross-coupling approach

scientific article published on August 2002

Synthesis, activity, and molecular modeling studies of novel human aldose reductase inhibitors based on a marine natural product

scientific article published in November 2003

Synthesis, and structural, conformational and pharmacological studies of new fentanyl derivatives of the norgranatane system

scholarly article by M. J. Fernández et al published 1992 in Perkin transactions II RSC

Synthesis, modeling and evaluation of 3'-(1-aryl-1H-tetrazol-5-ylamino)-substituted 3'-deoxythymidine derivatives as potent and selective human mitochondrial thymidine kinase inhibitors

scientific article published on 2 December 2010

TSAO compounds: the comprehensive story of a unique family of HIV-1 specific inhibitors of reverse transcriptase

scientific article published on January 2004

Temperature-induced melting of double-stranded DNA in the absence and presence of covalently bonded antitumour drugs: insight from molecular dynamics simulations

scientific article

The N137 and P140 amino acids in the p51 and the P95 amino acid in the p66 subunit of human immunodeficiency virus type 1 (HIV-1) reverse transcriptase are instrumental to maintain catalytic activity and to design new classes of anti-HIV-1 drugs

scientific article

The amino acid Asn136 in HIV-1 reverse transcriptase (RT) maintains efficient association of both RT subunits and enables the rational design of novel RT inhibitors

scientific article published on 15 April 2005

The binding of benzenesulfonamides to carbonic anhydrase enzyme. A molecular mechanics study and quantitative structure-activity relationships

scientific article published on 01 May 1989

The dual role of thymidine phosphorylase in cancer development and chemotherapy

scientific article

The molecular basis of resilience to the effect of the Lys103Asn mutation in non-nucleoside HIV-1 reverse transcriptase inhibitors studied by targeted molecular dynamics simulations

scientific article

The pyrimidine nucleoside phosphorylase of Mycoplasma hyorhinis and how it may affect nucleoside-based therapy

scientific article

The role of Thr139 in the human immunodeficiency virus type 1 reverse transcriptase sensitivity to (+)-calanolide A.

scientific article

Three-Dimensional Structure of ω-Conotoxin GVIA Determined by 1 H-NMR

scientific article published in 1993

Translation Elongation Factor eEF1A2 is a Novel Anticancer Target for the Marine Natural Product Plitidepsin.

scientific article published on 7 October 2016

Understanding the basis of resistance in the irksome Lys103Asn HIV-1 reverse transcriptase mutant through targeted molecular dynamics simulations

scientific article published in December 2004

Understanding the key factors that control the inhibition of type II dehydroquinase by (2R)-2-benzyl-3-dehydroquinic acids

scientific article

Unexpected Results in the Reaction of 5′-Tosyl TSAO-m3T With Amines

Unravelling the covalent binding of zampanolide and taccalonolide AJ to a minimalist representation of a human microtubule

scientific article published on 31 May 2019

Unusual Approach to 3-Aryl-2-aminopyridines through a Radical Mechanism: Synthesis and Theoretical Rationale from Quantum Mechanical Calculations†

Use of droplet counter-current chromatography in log P determinations

VSDMIP 1.5: an automated structure- and ligand-based virtual screening platform with a PyMOL graphical user interface

scientific article published on 09 August 2011

Viral engagement with host receptors blocked by a novel class of tryptophan dendrimers that targets the 5-fold-axis of the enterovirus-A71 capsid

scientific article published on 09 May 2019

XPF-dependent DNA breaks and RNA polymerase II arrest induced by antitumor DNA interstrand crosslinking-mimetic alkaloids

scientific article published in August 2011

gCOMBINE: A graphical user interface to perform structure-based comparative binding energy (COMBINE) analysis on a set of ligand-receptor complexes

scientific article published in January 2010

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