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A Comprehensive Computational Platform to Guide Drug Development Using Graph-Based Signature Methods

artículo científico publicado en 2020

A Computational Approach From Gene to Structure Analysis of the Human ABCA4 Transporter Involved in Genetic Retinal Diseases

artículo científico publicado en 2017

A Family of Dual-Activity Glycosyltransferase-Phosphorylases Mediates Mannogen Turnover and Virulence in Leishmania Parasites

scientific article published on 01 September 2019

A structural biology community assessment of AlphaFold 2 applications

An integrated computational approach can classify VHL missense mutations according to risk of clear cell renal carcinoma.

artículo científico publicado en 2014

Analysis of HGD Gene Mutations in Patients with Alkaptonuria from the United Kingdom: Identification of Novel Mutations

artículo científico publicado en 2015

Author Correction: Exploring the structural distribution of genetic variation in SARS-CoV-2 with the COVID-3D online resource

scientific article published on 04 January 2021

CSM-lig: a web server for assessing and comparing protein-small molecule affinities.

artículo científico publicado en 2016

Combating mutations in genetic disease and drug resistance: understanding molecular mechanisms to guide drug design.

artículo científico publicado en 2017

Cutoff Scanning Matrix (CSM): structural classification and function prediction by protein inter-residue distance patterns

artículo científico publicado el 22 de diciembre de 2011

DUET: a server for predicting effects of mutations on protein stability using an integrated computational approach.

artículo científico publicado en 2014

DynaMut2: Assessing changes in stability and flexibility upon single and multiple point missense mutations

artículo científico publicado en 2020

DynaMut: predicting the impact of mutations on protein conformation, flexibility and stability

artículo científico publicado en 2018

EasyVS: a user friendly web based tool for molecule library selection and structure-based virtual screening

artículo científico publicado en 2020

Exploring Protein Supersecondary Structure Through Changes in Protein Folding, Stability, and Flexibility

artículo científico publicado en 2019

Exploring the structural distribution of genetic variation in SARS-CoV-2 with the COVID-3D online resource

scientific article published on 09 September 2020

Familial STAG2 germline mutation defines a new human cohesinopathy

artículo científico publicado en 2017

Functional interactions between polypyrimidine tract binding protein and PRI peptide ligand containing proteins.

artículo científico publicado en 2016

GASS-WEB: a web server for identifying enzyme active sites based on genetic algorithms

artículo científico publicado en 2017

Germline Mutations in the CDKN2B Tumor Suppressor Gene Predispose to Renal Cell Carcinoma.

artículo científico publicado en 2015

Homogentisate 1,2-dioxygenase (HGD) gene variants, their analysis and genotype-phenotype correlations in the largest cohort of patients with AKU

scientific article published on 08 February 2019

Human LC3 and GABARAP subfamily members achieve functional specificity via specific structural modulations

scientific article published on 28 April 2019

HydroPaCe: understanding and predicting cross-inhibition in serine proteases through hydrophobic patch centroids.

artículo científico publicado en 2011

Identifying Genotype-Phenotype Correlations via Integrative Mutation Analysis

artículo científico publicado en 2021

In silico functional dissection of saturation mutagenesis: Interpreting the relationship between phenotypes and changes in protein stability, interactions and activity.

artículo científico publicado en 2016

Kinact: a computational approach for predicting activating missense mutations in protein kinases

artículo científico publicado en 2018

Mycobacterium tuberculosis whole genome sequencing and protein structure modelling provides insights into anti-tuberculosis drug resistance.

artículo científico publicado en 2016

PDBest: a user-friendly platform for manipulating and enhancing protein structures

artículo científico publicado en 2015

Platinum: a database of experimentally measured effects of mutations on structurally defined protein-ligand complexes.

artículo científico publicado en 2014

Prediction and Optimization of Pharmacokinetic and Toxicity Properties of the Ligand

artículo científico publicado en 2018

Prediction of rifampicin resistance beyond the RRDR using structure-based machine learning approaches

artículo científico publicado en 2020

Protein cutoff scanning: A comparative analysis of cutoff dependent and cutoff free methods for prospecting contacts in proteins.

artículo científico publicado en 2009

SDHA related tumorigenesis: a new case series and literature review for variant interpretation and pathogenicity.

artículo científico publicado en 2017

Structural and Biochemical Insights into the Function and Evolution of Sulfoquinovosidases

artículo científico publicado en 2018

Structure-guided machine learning prediction of drug resistance mutations in Abelson 1 kinase

artículo científico publicado en 2021

The Presence, Persistence and Functional Properties of Plasmodium vivax Duffy Binding Protein II Antibodies Are Influenced by HLA Class II Allelic Variants

artículo científico publicado en 2016

ThermoMutDB: a thermodynamic database for missense mutations

artículo científico publicado en 2020

Twelve novel HGD gene variants identified in 99 alkaptonuria patients: focus on 'black bone disease' in Italy.

artículo científico publicado en 2015

Variant type is associated with disease characteristics in SDHB, SDHC and SDHD-linked phaeochromocytoma-paraganglioma

scientific article published on 06 September 2019

Variation in Human Cytochrome P-450 Drug-Metabolism Genes: A Gateway to the Understanding of Plasmodium vivax Relapses

artículo científico publicado en 2016

aCSM: noise-free graph-based signatures to large-scale receptor-based ligand prediction.

artículo científico publicado en 2013

dendPoint: a web resource for dendrimer pharmacokinetics investigation and prediction

scientific article published on 29 October 2019

mCSM-AB2: guiding rational antibody design using graph-based signatures

scientific article published on 01 March 2020

mCSM-AB: a web server for predicting antibody-antigen affinity changes upon mutation with graph-based signatures

artículo científico publicado en 2016

mCSM-NA: predicting the effects of mutations on protein-nucleic acids interactions.

artículo científico publicado en 2017

mCSM-PPI2: predicting the effects of mutations on protein-protein interactions

artículo científico publicado en 2019

mCSM-lig: quantifying the effects of mutations on protein-small molecule affinity in genetic disease and emergence of drug resistance

artículo científico publicado en 2016

mCSM-membrane: predicting the effects of mutations on transmembrane proteins

artículo científico publicado en 2020

mCSM: predicting the effects of mutations in proteins using graph-based signatures.

artículo científico publicado en 2013

mmCSM-AB: guiding rational antibody engineering through multiple point mutations

artículo científico publicado en 2020

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures.

artículo científico publicado en 2015