J. Klett

发表

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

F. Gago, A. Morreale, R. Gil-Redondo, 2012, Journal of chemical theory and computation.

Disulfide Engineered Lipase to Enhance the Catalytic Activity: A Structure-Based Approach on BTL2

J. Hermoso, C. Carrasco-López, J. Klett, 2019, International journal of molecular sciences.

Characterizing conformation changes in proteins through the torsional elastic response.

U. Bastolla, R. Méndez, Helena G. dos Santos, 2013, Biochimica et biophysica acta.

Comparative Binding Energy (COMBINE) Analysis Supports a Proposal for the Binding Mode of Epothilones to β‐Tubulin

F. Gago, A. Morreale, J. F. Díaz, 2012, ChemMedChem.

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.

F. Gago, A. Morreale, J. Klett, 2013, Organic & biomolecular chemistry.

Semisynthetic peptide-lipase conjugates for improved biotransformations.

O. Abián, A. Morreale, B. de Las Rivas, 2012, Chemical communications.

Binding of non-canonical peptidoglycan controls Vibrio cholerae broad spectrum racemase activity

F. Cava, A. Morreale, J. Hermoso, 2021, Computational and structural biotechnology journal.

ALFA: Automatic Ligand Flexibility Assignment

Álvaro Cortés Cabrera, Antonio Morreale, Javier Klett, 2014, J. Chem. Inf. Model..

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

Antonio Morreale, Javier Klett, Rubén Gil-Redondo, 2010, Proteins.

CRDOCK: An Ultrafast Multipurpose Protein-Ligand Docking Tool

Álvaro Cortés Cabrera, Federico Gago, Antonio Morreale, 2012, J. Chem. Inf. Model..

Characterizing conformation changes in proteins through the torsional elastic response.

U. Bastolla, J. Klett, H. G. Dos Santos, 2013, Biochimica et biophysica acta.