Screening Balanites aegyptiaca for inhibitors against putative drug targets in Microsporum gypseum – Subtractive proteome, docking and simulation approach

Hijacking of endocytosis by HIV-1 Nef is becoming crystal clear

(2020) Yunan C. Januário et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

Insights into the Molecular Mechanisms of Protein-Ligand Interactions by Molecular Docking and Molecular Dynamics Simulation: A Case of Oligopeptide Binding Protein

(2018) Yi Fu et al.   Computational and Mathematical Methods in Medicine

UniProt: a worldwide hub of protein knowledge

(2018)   NUCLEIC ACIDS RESEARCH

STRING v11: protein–protein association networks with increased coverage, supporting functional discovery in genome-wide experimental datasets

(2018) Damian Szklarczyk et al.   NUCLEIC ACIDS RESEARCH

The Pfam protein families database in 2019

(2018) Sara El-Gebali et al.   NUCLEIC ACIDS RESEARCH

TiD: Standalone software for mining putative drug targets from bacterial proteome

(2017) Reena Gupta et al.   GENOMICS

Prediction of Protein–Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics Simulations

(2016) Anthony J. Clark et al.   Journal of Chemical Theory and Computation

ConSurf 2016: an improved methodology to estimate and visualize evolutionary conservation in macromolecules

(2016) Haim Ashkenazy et al.   NUCLEIC ACIDS RESEARCH

Characterization of the tRNA ligases of pathogenic fungiAspergillus fumigatusandCoccidioides immitis

(2016) Barbara S. Remus et al.   RNA

Drug Target Identification and Prioritization for Treatment of Ovine Foot Rot: AnIn SilicoApproach

(2016) Abhishek Acharya et al.   International Journal of Genomics

Membrane Trafficking in the Yeast Saccharomyces cerevisiae Model

(2015) Serge Feyder et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Septin-Dependent Assembly of the Exocyst Is Essential for Plant Infection byMagnaporthe oryzae

(2015) Yogesh K. Gupta et al.   PLANT CELL

Role of the normal gut microbiota

(2015) Sai Manasa Jandhyala   WORLD JOURNAL OF GASTROENTEROLOGY

Properties of Protein Drug Target Classes

(2015) Simon C. Bull et al.   PLoS One

Molecular simulation of N-acetylneuraminic acid analogs and molecular dynamics studies of cholera toxin-Neu5Gc complex

(2014) J. Jino Blessy et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

SMART: recent updates, new developments and status in 2015

(2014) Ivica Letunic et al.   NUCLEIC ACIDS RESEARCH

Distinctive kinetics and substrate specificities of plant and fungal tRNA ligases

(2014) B. S. Remus et al.   RNA

tRNAs as regulators of biological processes

(2014) Medha Raina et al.   Frontiers in Genetics

Identification and Characterization of Potential Therapeutic Candidates in Emerging Human Pathogen Mycobacterium abscessus: A Novel Hierarchical In Silico Approach

(2013) Buvaneswari Shanmugham et al.   PLoS One

targetTB: A target identification pipeline for Mycobacterium tuberculosis through an interactome, reactome and genome-scale structural analysis

(2012) Karthik Raman et al.   BMC Systems Biology

Identification of potential drug targets in Yersinia pestis using metabolic pathway analysis: MurE ligase as a case study

(2012) Aditya Sharma et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Computational tools and resources for metabolism-related property predictions. 1. Overview of publicly available (free and commercial) databases and software

(2012) Megan L Peach et al.   Future Medicinal Chemistry

Antifungal evaluation of cholic acid and its derivatives on Candida albicans by microcalorimetry and chemometrics

(2011) Weijun Kong et al.   ANALYTICA CHIMICA ACTA

Improving the Physical Realism and Structural Accuracy of Protein Models by a Two-Step Atomic-Level Energy Minimization

(2011) Dong Xu et al.   BIOPHYSICAL JOURNAL

Role of the gut microbiota in defining human health

(2010) Kei E Fujimura et al.   Expert Review of Anti-Infective Therapy

Understanding and Predicting Druggability. A High-Throughput Method for Detection of Drug Binding Sites

(2010) Peter Schmidtke et al.   JOURNAL OF MEDICINAL CHEMISTRY

Investigating the Activity Spectrum for Ring-Substituted 8-Hydroxyquinolines

(2010) Robert Musiol et al.   MOLECULES

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

(2010) Ambrish Roy et al.   Nature Protocols

DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs

(2010) C. Knox et al.   NUCLEIC ACIDS RESEARCH

Identification of Attractive Drug Targets in Neglected-Disease Pathogens Using an In Silico Approach

(2010) Gregory J. Crowther et al.   PLoS Neglected Tropical Diseases

Domain mobility in proteins: functional and evolutionary implications

(2009) M. K. Basu et al.   BRIEFINGS IN BIOINFORMATICS

Antibacterial, antifungal, and antiviral activities of some flavonoids

(2009) Didem Deliorman Orhan et al.   MICROBIOLOGICAL RESEARCH

KEGG for representation and analysis of molecular networks involving diseases and drugs

(2009) Minoru Kanehisa et al.   NUCLEIC ACIDS RESEARCH