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Chemistry

D-Index
51
Citations
9093
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13969
National Ranking
554

Overview

Victor Guallar is a researcher affiliated with the Barcelona Supercomputing Center in Spain. Their work spans the fields of biochemistry, genetics, molecular biology, and medicine, with a strong focus on molecular biology and infectious diseases.

The scientist's research covers a variety of topics, including:

  • SARS-CoV-2 and COVID-19 Research
  • COVID-19 Clinical Research Studies
  • Protein Structure and Dynamics
  • Computational Drug Discovery Methods
  • Microbial Metabolic Engineering and Bioproduction
  • Enzyme Catalysis and Immobilization
  • Immunotherapy and Immune Responses

Their scholarly output includes publications in several prominent venues, with notable frequent contributions to:

  • bioRxiv (Cold Spring Harbor Laboratory)
  • Journal of Chemical Information and Modeling
  • International Journal of Molecular Sciences
  • Scientific Reports
  • Frontiers in Microbiology

Some recent research papers authored or co-authored by Victor Guallar include:

  • Detection of SARS-CoV-2 in a cat owned by a COVID-19−affected patient in Spain, 2020, Proceedings of the National Academy of Sciences
  • Neoantigen prediction and computational perspectives towards clinical benefit: recommendations from the ESMO Precision Medicine Working Group, 2020, Annals of Oncology
  • Stable neutralizing antibody levels 6 months after mild and severe COVID-19 episodes, 2021, Med
  • SARS-CoV-2 infection elicits a rapid neutralizing antibody response that correlates with disease severity, 2021, Scientific Reports
  • Are Deep Learning Structural Models Sufficiently Accurate for Virtual Screening? Application of Docking Algorithms to AlphaFold2 Predicted Structures, 2023, Journal of Chemical Information and Modeling

Frequent co-authors collaborating with Victor Guallar include:

  • Jorge Carrillo
  • Julià Blanco
  • Bonaventura Clotet
  • Joaquím Segalés
  • Nuria Izquierdo-Useros

Best Publications

  • AB INITIO QUANTUM CHEMICAL AND MIXED QUANTUM MECHANICS/MOLECULAR MECHANICS (QM/MM) METHODS FOR STUDYING ENZYMATIC CATALYSIS

    Richard A Friesner;Victor Guallar

  • Importance of accurate charges in molecular docking: Quantum mechanical/molecular mechanical (QM/MM) approach

    Art E. Cho;Victor Guallar;Bruce J. Berne;Richard A. Friesner

  • Automated Design of Efficient and Functionally Diverse Enzyme Repertoires

    Olga Khersonsky;Rosalie Lipsh;Ziv Avizemer;Yacov Ashani

  • Oxidoreductases on their way to industrial biotransformations

    Angel T. Martínez;Francisco J. Ruiz-Dueñas;Susana Camarero;Ana Serrano

  • PELE: Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique.

    Kenneth W. Borrelli;Andreas Vitalis;Raul Alcantara;Victor Guallar

  • Peripheral heme substituents control the hydrogen-atom abstraction chemistry in cytochromes P450

    Victor Guallar;Mu-Hyun Baik;Stephen J. Lippard;Richard A. Friesner

  • The unravelling of the complex pattern of tyrosinase inhibition.

    Batel Deri;Margarita Kanteev;Mor Goldfeder;Daniel Lecina

  • Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers

    Victor Guallar;Victor S. Batista;William H. Miller

  • Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis

    Unknown

  • Cytochrome P450CAM enzymatic catalysis cycle: a quantum mechanics/molecular mechanics study.

    Victor Guallar;Richard A. Friesner

  • Determinants and Prediction of Esterase Substrate Promiscuity Patterns

    Mónica Martínez-Martínez;Cristina Coscolín;Gerard Santiago;Jennifer Chow

  • Raman study of mechanically induced oxygenation state transition of red blood cells using optical tweezers.

    Satish Rao;Štefan Bálint;Benjamin Cossins;Victor Guallar

  • The effect of heme environment on the hydrogen abstraction reaction of camphor in P450cam catalysis: a QM/MM study.

    Ahmet Altun;Victor Guallar;Richard A. Friesner;Sason Shaik

  • Increasing Redox Potential, Redox Mediator Activity, and Stability in a Fungal Laccase by Computer-Guided Mutagenesis and Directed Evolution

    Ivan Mateljak;Emanuele Monza;Maria Fatima Lucas;Victor Guallar;Victor Guallar

  • H-Atom Transfer and Rotational Processes in the Ground and First Singlet Excited Electronic States of 2-(2‘-Hydroxyphenyl)oxazole Derivatives: Experimental and Theoretical Studies†

    Víctor Guallar;Miquel Moreno;José M. Lluch;§ and Francisco Amat-Guerri

  • DNA Mutations Induced by Proton and Charge Transfer in the Low-Lying Excited Singlet Electronic States of the DNA Base Pairs: A Theoretical Insight

    Víctor Guallar;Abderrazzak Douhal;Miquel Moreno, ,† and;José M. Lluch

  • Synthesis of 1-Naphthol by a Natural Peroxygenase Engineered by Directed Evolution

    Patricia Molina-Espeja;Marina Cañellas;Francisco J. Plou;Martin Hofrichter

  • Ligand Binding Mechanism in Steroid Receptors: From Conserved Plasticity to Differential Evolutionary Constraints

    Karl Edman;Ali Hosseini;Magnus K. Bjursell;Anna Aagaard

  • Theoretical study of molecular dynamics in model base pairs

    Abderrazzak Douhal;Victor Guallar;Miquel Moreno;Jose Maria Lluch

  • Catalytic surface radical in dye-decolorizing peroxidase: a computational, spectroscopic and site-directed mutagenesis study

    Dolores Linde;Rebecca Pogni;Marina Cañellas;Fátima Lucas

  • Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase

    Victor Guallar;Benjamin F. Gherman;William H. Miller;Stephen J. Lippard

  • Basidiomycete DyPs: Genomic diversity, structural–functional aspects, reaction mechanism and environmental significance

    Dolores Linde;Francisco J. Ruiz-Dueñas;Elena Fernández-Fueyo;Victor Guallar

Frequent Co-Authors

Ángel T. Martínez
Ángel T. Martínez Spanish National Research Council
Julià Blanco
Julià Blanco IrsiCaixa
Joaquim Segalés
Joaquim Segalés Autonomous University of Barcelona
Roger Paredes
Roger Paredes University of Vic - Central University of Catalonia
Francisco J. Ruiz-Dueñas
Francisco J. Ruiz-Dueñas Spanish National Research Council
Richard A. Friesner
Richard A. Friesner Columbia University
Miguel Alcalde
Miguel Alcalde Spanish National Research Council
José M. Lluch
José M. Lluch Autonomous University of Barcelona

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