Lead discovery and in silico 3D structure modeling of tumorigenic FAM72A (p17)

Insights into the molecular interactions between aminopeptidase and amyloid beta peptide using molecular modeling techniques

(2014) Maruti J. Dhanavade et al.   AMINO ACIDS

Prediction of heterotrimeric protein complexes by two-phase learning using neighboring kernels

(2014) Peiying Ruan et al.   BMC BIOINFORMATICS

3D structure generation, virtual screening and docking of human Ras-associated binding (Rab3A) protein involved in tumourigenesis

(2014) Sharad S. Lodhi et al.   MOLECULAR BIOLOGY REPORTS

Realizing the promise of cancer predisposition genes

(2014) Nazneen Rahman   NATURE

Redox-dependent stability, protonation, and reactivity of cysteine-bound heme proteins

(2014) F. Zhong et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Protein threading using context-specific alignment potential

(2013) J. Ma et al.   BIOINFORMATICS

Protein–ligand binding site recognition using complementary binding-specific substructure comparison and sequence profile alignment

(2013) Jianyi Yang et al.   BIOINFORMATICS

Foundations of Biomolecular Modeling

(2013) William L. Jorgensen   CELL

Homology modeling, molecular docking and MD simulation studies to investigate role of cysteine protease from Xanthomonas campestris in degradation of Aβ peptide

(2013) Maruti J. Dhanavade et al.   COMPUTERS IN BIOLOGY AND MEDICINE

On homology modeling of the M2 muscarinic acetylcholine receptor subtype

(2013) Jan Jakubík et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Modeling and molecular dynamics of the intrinsically disordered e7 proteins from high- and low-risk types of human papillomavirus

(2013) Nilson Nicolau-Junior et al.   JOURNAL OF MOLECULAR MODELING

In silico analyses of structural and allergenicity features of sapodilla (Manilkara zapota) acidic thaumatin-like protein in comparison with allergenic plant TLPs

(2013) Hassan G. Ashok Kumar et al.   MOLECULAR IMMUNOLOGY

Database resources of the National Center for Biotechnology Information

(2013)   NUCLEIC ACIDS RESEARCH

ModBase, a database of annotated comparative protein structure models and associated resources

(2013) Ursula Pieper et al.   NUCLEIC ACIDS RESEARCH

Structural Modeling and In Silico Analysis of Human Superoxide Dismutase 2

(2013) Mariana Dias Castela de Carvalho et al.   PLoS One

Structural and Functional Analysis of Human SOD1 in Amyotrophic Lateral Sclerosis

(2013) Lorenna Giannini Alves Moreira et al.   PLoS One

Characterization and Structural Analysis of Hepcidin Like Antimicrobial Peptide From Schizothorax richardsonii (Gray)

(2013) Preeti Chaturvedi et al.   PROTEIN JOURNAL

A beta-complex statistical four body contact potential combined with a hydrogen bond statistical potential recognizes the correct native structure from protein decoy sets

(2013) Gilberto Sánchez-González et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

CASP prediction center infrastructure and evaluation measures in CASP10 and CASP ROLL

(2013) Andriy Kryshtafovych et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Critical assessment of methods of protein structure prediction (CASP) - round x

(2013) John Moult et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Challenging the state of the art in protein structure prediction: Highlights of experimental target structures for the 10th Critical Assessment of Techniques for Protein Structure Prediction Experiment CASP10

(2013) Andriy Kryshtafovych et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The protein p17 signaling pathways in cancer

(2013) Klaus Heese   TUMOR BIOLOGY

Modeling of the human rhinovirus C capsid suggests a novel topography with insights on receptor preference and immunogenicity

(2013) Holly A. Basta et al.   VIROLOGY

Cancer Statistics in Korea: Incidence, Mortality, Survival and Prevalence in 2010

(2013) Kyu-Won Jung et al.   Cancer Research and Treatment

Targeting the hallmarks of cancer

(2012) Pierre Hainaut et al.   CURRENT OPINION IN ONCOLOGY

A novel concept of identifying precancerous cells to enhance anti-cancer therapies

(2012) Yun-Wen Zheng et al.   Journal of Hepato-Biliary-Pancreatic Sciences

Template-based protein structure modeling using the RaptorX web server

(2012) Morten Källberg et al.   Nature Protocols

Molecular tools for companion diagnostics

(2012) Agata Zieba et al.   New Biotechnology

BioLiP: a semi-manually curated database for biologically relevant ligand–protein interactions

(2012) Jianyi Yang et al.   NUCLEIC ACIDS RESEARCH

Hallmarks of Cancer: The Next Generation

(2011) Douglas Hanahan et al.   CELL

Molecular modeling and docking characterization of Dectin-1 (PAMP) receptor of Bubalus bubalis

(2011) Brijesh S. Yadav et al.   EXPERIMENTAL AND MOLECULAR PATHOLOGY

The future of molecular dynamics simulations in drug discovery

(2011) David W. Borhani et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Homology modeling of the structure of acyl coA:isopenicillin N-acyltransferase (IAT) from Penicillium chrysogenum. IAT interaction studies with isopenicillin-N, combining molecular dynamics simulations and docking

(2011) Liliana Moreno-Vargas et al.   JOURNAL OF MOLECULAR MODELING

Impact of high-throughput screening in biomedical research

(2011) Ricardo Macarron et al.   NATURE REVIEWS DRUG DISCOVERY

Radiation damage in protein serial femtosecond crystallography using an x-ray free-electron laser

(2011) Lukas Lomb et al.   PHYSICAL REVIEW B

A multiple-template approach to protein threading

(2011) Jian Peng et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

BSP-SLIM: A blind low-resolution ligand-protein docking approach using predicted protein structures

(2011) Hui Sun Lee et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Integration, scaling, space-group assignment and post-refinement

(2010) Wolfgang Kabsch   ACTA CRYSTALLOGRAPHICA SECTION D-BIOLOGICAL CRYSTALLOGRAPHY

Prediction of protein–ligand binding affinity by free energy simulations: assumptions, pitfalls and expectations

(2010) Julien Michel et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Drug discovery: Pulled from a protein's embrace

(2010) William L. Jorgensen   NATURE

I-TASSER: a unified platform for automated protein structure and function prediction

(2010) Ambrish Roy et al.   Nature Protocols

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach

(2010) Xiaofeng Liu et al.   NUCLEIC ACIDS RESEARCH

Identification and characterisation of the novel amyloid-beta peptide-induced protein p17

(2009) Saheen Nehar et al.   FEBS LETTERS

BCL::Contact–Low Confidence Fold Recognition Hits Boost Protein Contact Prediction and De Novo Structure Determination

(2009) Mert Karakaş et al.   JOURNAL OF COMPUTATIONAL BIOLOGY

Methionine Sulfoxide Reductase B Displays a High Level of Flexibility

(2009) Fanomezana M. Ranaivoson et al.   JOURNAL OF MOLECULAR BIOLOGY

The influence of lead discovery strategies on the properties of drug candidates

(2009) György M. Keserü et al.   NATURE REVIEWS DRUG DISCOVERY

I-TASSER server for protein 3D structure prediction

(2008) Yang Zhang   BMC BIOINFORMATICS

Ugene, a Newly Identified Protein That Is Commonly Overexpressed in Cancer and Binds Uracil DNA Glycosylase

(2008) C. Guo et al.   CANCER RESEARCH