Citation Impact
Citing Papers
Comprehensive computational design of ordered peptide macrocycles
2017 StandoutScienceNobel
Expansive discovery of chemically diverse structured macrocyclic oligoamides
2024 StandoutScienceNobel
De novo design of allosterically switchable protein assemblies
2024 StandoutNatureNobel
Improved scoring function for comparative modeling using the M4T method
2008
Computational protein–ligand docking and virtual drug screening with the AutoDock suite
2016 Standout
Evaluation of the performance of four molecular docking programs on a diverse set of protein‐ligand complexes
2010
Discovery of GS-9973, a Selective and Orally Efficacious Inhibitor of Spleen Tyrosine Kinase
2014
Improved molecular replacement by density- and energy-guided protein structure optimization
2011 StandoutNatureNobel
The PROTACtable genome
2021
Refining homology models by combining replica‐exchange molecular dynamics and statistical potentials
2008
Prediction of Druggable Proteins Using Machine Learning and Systems Biology: A Mini-Review
2015
Comprehensive Molecular Structure of the Eukaryotic Ribosome
2009 StandoutNobel
Nanocaged platforms: modification, drug delivery and nanotoxicity. Opening synthetic cages to release the tiger
2016
Atomic-accuracy models from 4.5-Å cryo-electron microscopy data with density-guided iterative local refinement
2015 StandoutNobel
Adenylyl Cyclase-Associated Protein 1 Is a Receptor for Human Resistin and Mediates Inflammatory Actions of Human Monocytes
2014
ConSurf 2016: an improved methodology to estimate and visualize evolutionary conservation in macromolecules
2016 Standout
SWISS-MODEL: modelling protein tertiary and quaternary structure using evolutionary information
2014 Standout
A Completely Reimplemented MPI Bioinformatics Toolkit with a New HHpred Server at its Core
2017 Standout
High-Resolution Comparative Modeling with RosettaCM
2013 StandoutNobel
CD-HIT: accelerated for clustering the next-generation sequencing data
2012 Standout
Molecular Dynamics Simulation for All
2018 Standout
GalaxyDock BP2 score: a hybrid scoring function for accurate protein–ligand docking
2017
A structure-based computational workflow to predict liability and binding modes of small molecules to hERG
2020 StandoutNobel
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
2013 Standout
Mechanism of tetracycline resistance by ribosomal protection protein Tet(O)
2013 StandoutNobel
Principles for targeting RNA with drug-like small molecules
2018
Structures of Human Exonuclease 1 DNA Complexes Suggest a Unified Mechanism for Nuclease Family
2011 StandoutNobel
Immune Checkpoint Targeting in Cancer Therapy: Toward Combination Strategies with Curative Potential
2015 StandoutNobel
Massively parallel determination and modeling of endonuclease substrate specificity
2014 StandoutNobel
Automatic Prediction of Protein 3D Structures by Probabilistic Multi-template Homology Modeling
2015
Novel cancer immunotherapy agents with survival benefit: recent successes and next steps
2011 StandoutNobel
Surflex-Dock: Docking benchmarks and real-world application
2012
A New Clustering of Antibody CDR Loop Conformations
2010
Molecular mechanisms of T cell co-stimulation and co-inhibition
2013 Standout
Translating Neurogenomics Into New Medicines
2015
Modelling three-dimensional protein structures for applications in drug design
2013
PROTAC targeted protein degraders: the past is prologue
2022 Standout
Tumour-associated macrophages as treatment targets in oncology
2017 Standout
Protein-Ligand Docking in the New Millennium – A Retrospective of 10 Years in the Field
2013
Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
2012 StandoutNatureNobel
Evaluation of DOCK 6 as a pose generation and database enrichment tool
2012
Consistent refinement of submitted models at CASP using a knowledge‐based potential
2010 StandoutNobel
How well can the accuracy of comparative protein structure models be predicted?
2008
Applications of machine learning in drug discovery and development
2019 Standout
Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH
2022 StandoutNobel
Alignment of multiple protein structures based on sequence and structure features
2009
Systematic interrogation of diverse Omic data reveals interpretable, robust, and generalizable transcriptomic features of clinically successful therapeutic targets
2018
Immune Checkpoint Blockade: A Common Denominator Approach to Cancer Therapy
2015 Standout
Chimeragenesis of distantly‐related proteins by noncontiguous recombination
2012 StandoutNobel
Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
2011 Standout
Gene regulation by long non-coding RNAs and its biological functions
2020 Standout
A Membrane Burial Potential with H-Bonds and Applications to Curved Membranes and Fast Simulations
2018 StandoutNobel
The ORCA quantum chemistry program package
2020 Standout
VISTA, a novel mouse Ig superfamily ligand that negatively regulates T cell responses
2011
Coordinative Alignment in the Pores of MOFs for the Structural Determination of N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules
2019 StandoutNobel
What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery
2015
Pore-forming activity and structural autoinhibition of the gasdermin family
2016 StandoutNature
Fundamental Mechanisms of Immune Checkpoint Blockade Therapy
2018 StandoutNobel
Comparative Protein Structure Modeling Using MODELLER
2014
Comparative Protein Structure Modeling Using MODELLER
2016 Standout
Force Field Optimization Guided by Small Molecule Crystal Lattice Data Enables Consistent Sub-Angstrom Protein–Ligand Docking
2021 StandoutNobel
Accurate protein structure modeling using sparse NMR data and homologous structure information
2012 StandoutNobel
Predicting disulfide bond connectivity in proteins by correlated mutations analysis
2008
How neuroinflammation contributes to neurodegeneration
2016 StandoutScience
Automatic structure prediction of oligomeric assemblies using Robetta in CASP12
2017 StandoutNobel
Generalized ensemble methods for de novo structure prediction
2009 StandoutNobel
The future of immune checkpoint therapy
2015 StandoutScienceNobel
Comparative Protein Structure Modeling Using MODELLER
2007 Standout
Toward the estimation of the absolute quality of individual protein structure models
2010 Standout
Characterization of a Genuine Iron(V)−Nitrido Species by Nuclear Resonant Vibrational Spectroscopy Coupled to Density Functional Calculations
2007
Comparative Protein Structure Modeling Using MODELLER
2016
Hypoxia-Inducible Factor 1α Is a Critical Downstream Mediator for Hypoxia-Induced Mitogenic Factor (FIZZ1/RELMα)–Induced Pulmonary Hypertension
2015 StandoutNobel
Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors
2011
Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach
2019 StandoutNobel
Template‐based modeling by ClusPro in CASP13 and the potential for using co‐evolutionary information in docking
2019 StandoutNobel
The Good, the Bad, and the Twisted Revisited: An Analysis of Ligand Geometry in Highly Resolved Protein–Ligand X-ray Structures
2021
Boosting Protein Threading Accuracy
2009
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
2013 Standout
Comparative Protein Structure Modeling Using Modeller
2006 Standout
Works of K. Brajesh being referenced
Modeling G protein‐coupled receptors for structure‐based drug discovery using low‐frequency normal modes for refinement of homology models: Application to H3 antagonists
2009
Iron Normal Mode Dynamics in (Nitrosyl)iron(II)tetraphenylporphyrin from X-ray Nuclear Resonance Data
2002
Multiple mapping method: A novel approach to the sequence‐to‐structure alignment problem in comparative protein structure modeling
2006
Structure-based druggability assessment — identifying suitable targets for small molecule therapeutics
2011
Exploring Aromatic Chemical Space with NEAT: Novel and Electronically Equivalent Aromatic Template
2012
Comprehensive Assessment of Torsional Strain in Crystal Structures of Small Molecules and Protein–Ligand Complexes using ab Initio Calculations
2019
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
2009
MMM: a sequence-to-structure alignment protocol
2006
Direct Determination of the Complete Set of Iron Normal Modes in a Porphyrin-Imidazole Model for Carbonmonoxy-heme Proteins: [Fe(TPP)(CO)(1-MeIm)]
2003
Comparative protein structure modeling by combining multiple templates and optimizing sequence-to-structure alignments
2007