Proteochemometric Modeling of the Antigen-Antibody Interaction: New Fingerprints for Antigen, Antibody and Epitope-Paratope Interaction

Broadly Neutralizing Antiviral Antibodies

(2013) Davide Corti et al.   Annual Review of Immunology

Structural Determinants for Naturally Evolving H5N1 Hemagglutinin to Switch Its Receptor Specificity

(2013) Kannan Tharakaraman et al.   CELL

The Stereoselectivity of CYP2C19 on R- and S-isomers of Proton Pump Inhibitors

(2013) Chuan Tian et al.   Chemical Biology & Drug Design

Delineating Antibody Recognition in Polyclonal Sera from Patterns of HIV-1 Isolate Neutralization

(2013) I. S. Georgiev et al.   SCIENCE

Screening of selective histone deacetylase inhibitors by proteochemometric modeling

(2012) Dingfeng Wu et al.   BMC BIOINFORMATICS

Proteochemometric Modeling of the Bioactivity Spectra of HIV-1 Protease Inhibitors by Introducing Protein-Ligand Interaction Fingerprint

(2012) Qi Huang et al.   PLoS One

Protein binding site analysis by means of structural interaction fingerprint patterns

(2011) Stefan Mordalski et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Structure-based computational analysis of protein binding sites for function and druggability prediction

(2011) Britta Nisius et al.   JOURNAL OF BIOTECHNOLOGY

Molecular mechanism of HIV-1 integrase-vDNA interactions and strand transfer inhibitor action: A molecular modeling perspective

(2011) Weiwei Xue et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

ProBiS algorithm for detection of structurally similar protein binding sites by local structural alignment

(2010) Janez Konc et al.   BIOINFORMATICS

A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction

(2010) Brice Hoffmann et al.   BMC BIOINFORMATICS

Alignment-Free Ultra-High-Throughput Comparison of Druggable Protein−Ligand Binding Sites

(2010) Nathanaël Weill et al.   Journal of Chemical Information and Modeling

HexServer: an FFT-based protein docking server powered by graphics processors

(2010) G. Macindoe et al.   NUCLEIC ACIDS RESEARCH

Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

(2010) Gerard J. P. van Westen et al.   MedChemComm

Proteochemometric Modeling of Drug Resistance over the Mutational Space for Multiple HIV Protease Variants and Multiple Protease Inhibitors

(2009) Maris Lapins et al.   Journal of Chemical Information and Modeling

SEPPA: a computational server for spatial epitope prediction of protein antigens

(2009) Jing Sun et al.   NUCLEIC ACIDS RESEARCH

Fast screening of protein surfaces using geometric invariant fingerprints

(2009) S. Yin et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Proteochemometric modeling of HIV protease susceptibility

(2008) Maris Lapins et al.   BMC BIOINFORMATICS

Interaction Model Based on Local Protein Substructures Generalizes to the Entire Structural Enzyme-Ligand Space

(2008) Helena Strömbergsson et al.   Journal of Chemical Information and Modeling

Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments

(2008) L. Xie et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

A simple and fuzzy method to align and compare druggable ligand-binding sites

(2008) Claire Schalon et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS