Citation Impact
Citing Papers
Sugar binding induces an outward facing conformation of LacY
2007
Minimal "Self" Peptides That Inhibit Phagocytic Clearance and Enhance Delivery of Nanoparticles
2013 Science
Nuclear Lamin-A Scales with Tissue Stiffness and Enhances Matrix-Directed Differentiation
2013 StandoutScience
Catalysis by dihydrofolate reductase and other enzymes arises from electrostatic preorganization, not conformational motions
2011 StandoutNobel
Progress and challenges towards targeted delivery of cancer therapeutics
2018 Standout
The Periplasmic Cavity of LacY Mutant Cys154→Gly: How Open Is Open?
2013 StandoutNobel
Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
MemProtMD: Automated Insertion of Membrane Protein Structures into Explicit Lipid Membranes
2015
From G Protein-coupled Receptor Structure Resolution to Rational Drug Design
2015
Structure of an antagonist-bound ghrelin receptor reveals possible ghrelin recognition mode
2020
Prey for the Proteasome: Targeted Protein Degradation—A Medicinal Chemist's Perspective
2020
Computational protein–ligand docking and virtual drug screening with the AutoDock suite
2016 Standout
E. coli Outer Membrane and Interactions with OmpLA
2014
Discoveries in structure and physiology of mechanically activated ion channels
2020 StandoutNatureNobel
EttA regulates translation by binding the ribosomal E site and restricting ribosome-tRNA dynamics
2014 StandoutNobel
Understanding how cystic fibrosis mutations disrupt CFTR function: From single molecules to animal models
2014
Cancer nanomedicine: progress, challenges and opportunities
2016 Standout
Microbial tryptophan catabolites in health and disease
2018 Standout
Hydrophobic mismatch drives self-organization of designer proteins into synthetic membranes
2024 StandoutNobel
High-Resolution Modeling of Transmembrane Helical Protein Structures from Distant Homologues
2014 StandoutNobel
Exploring the role of receptor flexibility in structure-based drug discovery
2013
GPCR-Mediated Signaling of Metabolites
2017
On the Interpretation of Force-Induced Unfolding Studies of Membrane Proteins Using Fast Simulations
2019 StandoutNobel
Principles of nanoparticle design for overcoming biological barriers to drug delivery
2015 Standout
PLIP: fully automated protein–ligand interaction profiler
2015 Standout
Protein dynamics and enzyme catalysis: Insights from simulations
2010
Trends in GPCR drug discovery: new agents, targets and indications
2017 Standout
ASD v3.0: unraveling allosteric regulation with structural mechanisms and biological networks
2015
Membrane protein orientation and refinement using a knowledge-based statistical potential
2013
Multiscale modeling of biological functions
2011 StandoutNobel
Molecular Dynamics Simulation for All
2018 Standout
Simulating electrostatic energies in proteins: Perspectives and some recent studies of pKas, redox, and other crucial functional properties
2011 StandoutNobel
A structure-based computational workflow to predict liability and binding modes of small molecules to hERG
2020 StandoutNobel
g_membed: Efficient insertion of a membrane protein into an equilibrated lipid bilayer with minimal perturbation
2010
Exploring Peptide-Membrane Interactions with Coarse-Grained MD Simulations
2011
Piezos thrive under pressure: mechanically activated ion channels in health and disease
2017 StandoutNobel
PEGylation as a strategy for improving nanoparticle-based drug and gene delivery
2015 Standout
Atomic Structure of the Cystic Fibrosis Transmembrane Conductance Regulator
2016
Systematic multiscale simulation of membrane protein systems
2009
Drug repurposing: progress, challenges and recommendations
2018 Standout
The ABC-F protein EttA gates ribosome entry into the translation elongation cycle
2014 StandoutNobel
New paradigms in GPCR drug discovery
2015
Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics Simulations
2016
Structure of the mechanically activated ion channel Piezo1
2017 StandoutNatureNobel
A Molecular Pharmacologist’s Guide to G Protein–Coupled Receptor Crystallography
2015
Molecular dynamics simulations and drug discovery
2011
Cystic fibrosis genetics: from molecular understanding to clinical application
2014 Standout
Improved protein structure prediction using potentials from deep learning
2020 StandoutNatureNobel
Membrane protein structural bioinformatics
2011
Molecular dynamics simulations of membrane channels and transporters
2009
PROTAC targeted protein degraders: the past is prologue
2022 Standout
The mystery of membrane organization: composition, regulation and roles of lipid rafts
2017 Standout
Dynamics: the missing link between structure and function of the viral RNA-dependent RNA polymerase?
2009
Receptor–ligand molecular docking
2013
Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
2012 StandoutNatureNobel
Lipidbook: A Public Repository for Force-Field Parameters Used in Membrane Simulations
2010
Toward a Consensus Model of the hERG Potassium Channel
2010
A computational approach for predicting off-target toxicity of antiviral ribonucleoside analogues to mitochondrial RNA polymerase
2018 StandoutNobel
Crystal structure of misoprostol bound to the labor inducer prostaglandin E2 receptor
2018
A two-domain elevator mechanism for sodium/proton antiport
2013 Nature
Membrane mimetic systems in CryoEM: keeping membrane proteins in their native environment
2019 StandoutNobel
Molecular Simulation Approaches to Membrane Proteins
2011
Membrane proteins: molecular dynamics simulations
2008
Protein adsorption is required for stealth effect of poly(ethylene glycol)- and poly(phosphoester)-coated nanocarriers
2016 Standout
The future of molecular dynamics simulations in drug discovery
2011
The role of lipids in mechanosensation
2015
Perspective on the Martini model
2013
Structures of G protein-coupled receptors reveal new opportunities for drug discovery
2015
A Membrane Burial Potential with H-Bonds and Applications to Curved Membranes and Fast Simulations
2018 StandoutNobel
Structurally Enabled Discovery of Adenosine A2A Receptor Antagonists
2016
Progress of modern agricultural chemistry and future prospects
2015
Computer Simulation of Liquids
2017 Standout
Flexible Gates Generate Occluded Intermediates in the Transport Cycle of LacY
2013
Perspective: Markov models for long-timescale biomolecular dynamics
2014
Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design
2018 Standout
Comparison of plant hormone signalling systems
2015
The MARTINI Coarse-Grained Force Field: Extension to Proteins
2008 Standout
From Coarse Grained to Atomistic: A Serial Multiscale Approach to Membrane Protein Simulations
2011
Cryo-EM structure of the mechanically activated ion channel OSCA1.2
2018 StandoutNobel
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
2015 Standout
Probing the SecYEG translocation pore size with preproteins conjugated with sizable rigid spherical molecules
2011 StandoutNobel
Structure, Function, and Evolution of Bacterial ATP-Binding Cassette Systems
2008
Molecular Docking and Structure-Based Drug Design Strategies
2015 Standout
Targeting orphan G protein‐coupled receptors for the treatment of diabetes and its complications: C‐peptide andGPR 146
2016
Dynamic Heterogeneous Dielectric Generalized Born (DHDGB): An Implicit Membrane Model with a Dynamically Varying Bilayer Thickness
2013
Improved Parameters for the Martini Coarse-Grained Protein Force Field
2012
Lipophilic Efficiency as an Important Metric in Drug Design
2018
Computational Prediction of the Heterodimeric and Higher-Order Structure of gpE1/gpE2 Envelope Glycoproteins Encoded by Hepatitis C Virus
2017 StandoutNobel
Structural Determinants of Lateral Gate Opening in the Protein Translocon
2007
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
2013 Standout
Coarse-Grained Molecular Dynamics Simulations of the Energetics of Helix Insertion into a Lipid Bilayer
2008
Protein Flexibility in Virtual Screening: The BACE-1 Case Study
2012
Molecular Docking: Challenges, Advances and its Use in Drug Discovery Perspective
2018 Standout
All-atom lipid bilayer self-assembly with the AMBER and CHARMM lipid force fields
2015
2015
Membrane-Induced Conformational Changes of Kyotorphin Revealed by Molecular Dynamics Simulations
2010
MEDELLER: homology-based coordinate generation for membrane proteins
2010
Analysis of nanoparticle delivery to tumours
2016 Standout
Latest developments in molecular docking: 2010–2011 in review
2013
Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors
2011
Large-scale determination of previously unsolved protein structures using evolutionary information
2015 StandoutNobel
An effective Coarse‐grained model for biological simulations: Recent refinements and validations
2013 StandoutNobel
Combination of ligand- and structure-based methods in virtual screening
2013
PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data
2013 Standout
On the energetics of translocon-assisted insertion of charged transmembrane helices into membranes
2010 StandoutNobel
Combining an Elastic Network With a Coarse-Grained Molecular Force Field: Structure, Dynamics, and Intermolecular Recognition
2009
Works of Anthony Ivetac being referenced
Coarse-grained molecular dynamics simulations of membrane proteins and peptides
2006
Mapping the Druggable Allosteric Space of G‐Protein Coupled Receptors: a Fragment‐Based Molecular Dynamics Approach
2010
A combinatorial TIR1/AFB–Aux/IAA co-receptor system for differential sensing of auxin
2012
Coarse-Grained MD Simulations of Membrane Protein-Bilayer Self-Assembly
2008
Characterization of a clinical polymer‐drug conjugate using multiscale modeling
2010
Elucidating the Inhibition Mechanism of HIV-1 Non-Nucleoside Reverse Transcriptase Inhibitors through Multicopy Molecular Dynamics Simulations
2009
High-resolution structure of the human GPR40 receptor bound to allosteric agonist TAK-875
2014 Nature
Molecular Recognition in the Case of Flexible Targets
2011
Molecular dynamics simulations and membrane protein structure quality
2007
Dynamics and Function in a Bacterial ABC Transporter: Simulation Studies of the BtuCDF System and Its Components
2007
Cystic Fibrosis Transmembrane Conductance Regulator: Using Differential Reactivity toward Channel-Permeant and Channel-Impermeant Thiol-Reactive Probes To Test a Molecular Model for the Pore
2009
Cystic Fibrosis Transmembrane Conductance Regulator: A Molecular Model Defines the Architecture of the Anion Conduction Path and Locates a “Bottleneck” in the Pore
2012
Structure-Based Design of ASK1 Inhibitors as Potential Agents for Heart Failure
2017
Predictive Power of Molecular Dynamics Receptor Structures in Virtual Screening
2011