Model for Vaccine Design by Prediction of B-Epitopes of IEDB Given Perturbations in Peptide Sequence, In Vivo Process, Experimental Techniques, and Source or Host Organisms

Unified Multi-target Approach for the Rational in silico Design of Anti-bladder Cancer Agents

(2013) Alejandro Speck- Planche et al.   Anti-Cancer Agents in Medicinal Chemistry

Multi-Target Inhibitors for Proteins Associated with Alzheimer: In Silico Discovery using Fragment-Based Descriptors

(2013) Alejandro Speck-Planche et al.   Current Alzheimer Research

MIANN Models in Medicinal, Physical and Organic Chemistry

(2013) Humberto Gonzalez-Diaz et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

New insights toward the discovery of antibacterial agents: Multi-tasking QSBER model for the simultaneous prediction of anti-tuberculosis activity and toxicological profiles of drugs

(2013) Alejandro Speck-Planche et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Thermodynamic perturbation theory for associating fluids with small bond angles: Effects of steric hindrance, ring formation, and double bonding

(2013) Bennett D. Marshall et al.   PHYSICAL REVIEW E

Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships

(2013) Theres Fagerberg et al.   PLoS One

Use of category approaches, read-across and (Q)SAR: General considerations

(2013) Grace Patlewicz et al.   REGULATORY TOXICOLOGY AND PHARMACOLOGY

ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen

(2012) Esvieta Tenorio-Borroto et al.   BIOORGANIC & MEDICINAL CHEMISTRY

In Silico Discovery and Virtual Screening of Multi-Target Inhibitors for Proteins in Mycobacterium tuberculosis

(2012) Alejandro Speck-Planche et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Chemoinformatics in anti-cancer chemotherapy: Multi-target QSAR model for the in silico discovery of anti-breast cancer agents

(2012) Alejandro Speck-Planche et al.   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

The immune epitope database: a historical retrospective of the first decade

(2012) Nima Salimi et al.   IMMUNOLOGY

Immune epitope database analysis resource

(2012) Y. Kim et al.   NUCLEIC ACIDS RESEARCH

Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors

(2011) Giovanni Marzaro et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Recognition of the ligand-type specificity of classical and non-classical MHC I proteins

(2011) Eduardo Martínez-Naves et al.   FEBS LETTERS

Stepwise identification of HLA-A*0201-restricted CD8+ T-cell epitope peptides from herpes simplex virus type 1 genome boosted by a steprank scheme

(2010) Jianjun Bi et al.   BIOPOLYMERS

Updating the Skin Sensitizationin VitroData Assessment Paradigm in 2009 - a chemistry and QSAR perspective

(2010) David W. Roberts et al.   JOURNAL OF APPLIED TOXICOLOGY

Applications for T-cell epitope queries and tools in the Immune Epitope Database and Analysis Resource

(2010) Yohan Kim et al.   JOURNAL OF IMMUNOLOGICAL METHODS

Prediction of MHC-Peptide Binding: A Systematic and Comprehensive Overview

(2009) Esther Lafuente et al.   CURRENT PHARMACEUTICAL DESIGN

On the Electronic Structure of Cocaine and its Metabolites

(2009) David A. Rincón et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Quantitative modeling of peptide binding to TAP using support vector machine

(2009) Carmen M. Diez-Rivero et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Some New Trends in Chemical Graph Theory

(2008) Ramón García-Domenech et al.   CHEMICAL REVIEWS

Applications of 2D Descriptors in Drug Design: A DRAGON Tale

(2008) Aliuska Helguera et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Predicting Antimicrobial Drugs and Targets with the MARCH-INSIDE Approach

(2008) Humberto Gonzalez-Diaz et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Medicinal Chemistry and the Molecular Operating Environment (MOE): Application of QSAR and Molecular Docking to Drug Discovery

(2008) Santiago Vilar et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Nonanimal Alternatives for Skin Sensitization: Letter to the Editor

(2008) David W. Roberts et al.   TOXICOLOGICAL SCIENCES