Standout Papers
Citation Impact
Citing Papers
Directed evolution of the tryptophan synthase β-subunit for stand-alone function recapitulates allosteric activation
2015 StandoutNobel
Protein interaction networks revealed by proteome coevolution
2019 StandoutScienceNobel
Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculations
2014 StandoutNobel
Atomic-Level Characterization of the Structural Dynamics of Proteins
2010 StandoutScienceNobel
Protein homology model refinement by large-scale energy optimization
2018 StandoutNobel
Comprehensive computational design of ordered peptide macrocycles
2017 StandoutScienceNobel
Origins of coevolution between residues distant in protein 3D structures
2017 StandoutNobel
Topological control of cytokine receptor signaling induces differential effects in hematopoiesis
2019 StandoutScienceNobel
Directed Evolution Mimics Allosteric Activation by Stepwise Tuning of the Conformational Ensemble
2018 StandoutNobel
Exploiting conformational dynamics to modulate the function of designed proteins
2023 StandoutNobel
Protein structure determination using metagenome sequence data
2017 StandoutScienceNobel
Structural basis for nucleotide exchange in heterotrimeric G proteins
2015 ScienceNobel
Assessing the utility of coevolution-based residue–residue contact predictions in a sequence- and structure-rich era
2013 StandoutNobel
Accurate computational design of multipass transmembrane proteins
2018 StandoutScienceNobel
Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
De novo design of allosterically switchable protein assemblies
2024 StandoutNatureNobel
Structural insights into µ-opioid receptor activation
2015 NatureNobel
A Gate Hinge Controls the Epithelial Calcium Channel TRPV5
2017
Agonist-bound structures of G protein-coupled receptors
2012
Discoveries in structure and physiology of mechanically activated ion channels
2020 StandoutNatureNobel
Identifying Functional Hotspot Residues for Biased Ligand Design in G-Protein-Coupled Receptors
2018
The ensemble nature of allostery
2014 Nature
High-resolution crystal structure of human protease-activated receptor 1
2012 StandoutNatureNobel
Crystal structure refinement withSHELXL
2014 Standout
Trends in GPCR drug discovery: new agents, targets and indications
2017 Standout
How Ligands Illuminate GPCR Molecular Pharmacology
2017
Vitamin A Transport and the Transmembrane Pore in the Cell-Surface Receptor for Plasma Retinol Binding Protein
2013
The role of distant mutations and allosteric regulation on LovD active site dynamics
2014
Molecular Dynamics Simulation for All
2018 Standout
Activation and allosteric modulation of a muscarinic acetylcholine receptor
2013 NatureNobel
Recent developments in biased agonism
2013 Nobel
Computational design of G Protein-Coupled Receptor allosteric signal transductions
2019
Conformational landscapes of membrane proteins delineated by enhanced sampling molecular dynamics simulations
2017
Structure-based drug screening for G-protein-coupled receptors
2012 StandoutNobel
Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics Simulations
2016
Oncogenic Mutations Counteract Intrinsic Disorder in the EGFR Kinase and Promote Receptor Dimerization
2012 StandoutNobel
TRPV1 structures in distinct conformations reveal activation mechanisms
2013 StandoutNatureNobel
Transmembrane Helix Straightening and Buckling Underlies Activation of Mechanosensitive and Thermosensitive K2P Channels
2014
A new era of GPCR structural and chemical biology
2012 StandoutNobel
Glucose-Neopentyl Glycol (GNG) amphiphiles for membrane protein study
2012 StandoutNobel
EGFR Ligands Differentially Stabilize Receptor Dimers to Specify Signaling Kinetics
2017
Accelerated molecular dynamics simulations of ligand binding to a muscarinic G-protein-coupled receptor
2015
Divergent Four-Point Dynamic Density Correlation Function of a Glassy Suspension
2008
Stabilizing membrane proteins through protein engineering
2013
Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
2012 StandoutNatureNobel
N-Terminal T4 Lysozyme Fusion Facilitates Crystallization of a G Protein Coupled Receptor
2012 StandoutNobel
Structural mechanism of C-type inactivation in K+ channels
2010 Nature
Recent advances in magic angle spinning solid state NMR of membrane proteins
2014
A topological and conformational stability alphabet for multipass membrane proteins
2016
A New Class of Amphiphiles Bearing Rigid Hydrophobic Groups for Solubilization and Stabilization of Membrane Proteins
2012 StandoutNobel
Scaling Analysis of Dynamic Heterogeneity in a Supercooled Lennard-Jones Liquid
2008
Molecular tuning of electroreception in sharks and skates
2018 StandoutNatureNobel
Structure of the δ-opioid receptor bound to naltrindole
2012 StandoutNatureNobel
Transient Non-native Hydrogen Bonds Promote Activation of a Signaling Protein
2009
Protein 3D Structure Computed from Evolutionary Sequence Variation
2011
The future of molecular dynamics simulations in drug discovery
2011
Advances in free-energy-based simulations of protein folding and ligand binding
2016
Optochemical Genetics
2011
Three-Dimensional Structures of Membrane Proteins from Genomic Sequencing
2012
Interplay between Structure and Size in a Critical Crystal Nucleus
2005
Transition-Path Theory and Path-Finding Algorithms for the Study of Rare Events
2008
Efficient Determination of Protein–Protein Standard Binding Free Energies from First Principles
2013
Heterogeneity of functional groups in a metal–organic framework displays magic number ratios
2015 StandoutNobel
Improving Protein Expression, Stability, and Function with ProteinMPNN
2024 StandoutNobel
The ensemble switch method for computing interfacial tensions
2015
Gating transitions in the selectivity filter region of a sodium channel are coupled to the domain IV voltage sensor
2012
Computer Simulation of Liquids
2017 Standout
Perspective: Markov models for long-timescale biomolecular dynamics
2014
Structure of the STRA6 receptor for retinol uptake
2016 StandoutScienceNobel
Hopping and the Stokes–Einstein relation breakdown in simple glass formers
2014 StandoutNobel
Growing timescales and lengthscales characterizing vibrations of amorphous solids
2016 StandoutNobel
Automation of the CHARMM General Force Field (CGenFF) I: Bond Perception and Atom Typing
2012 Standout
Quantitative field theory of the glass transition
2012 StandoutNobel
Ion-dependent protein–surface interactions from intrinsic solvent response
2021 StandoutNobel
Large‐scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis
2015
Spotlight on the Ballet of Proteins: The Structural Dynamic Properties of Proteins Illuminated by Solution NMR
2020
Dimensional study of the caging order parameter at the glass transition
2012 StandoutNobel
The role of local structure in dynamical arrest
2014
The NMR–Rosetta capsid model of M13 bacteriophage reveals a quadrupled hydrophobic packing epitope
2015 StandoutNobel
Reversible Photocontrol of Biological Systems by the Incorporation of Molecular Photoswitches
2013 StandoutNobel
The gating cycle of a K+ channel at atomic resolution
2017
Membrane Protein Structure Determination Using Crystallography and Lipidic Mesophases: Recent Advances and Successes
2012
Structure-Function of the G Protein–Coupled Receptor Superfamily
2012
C-type inactivation of voltage-gated K+ channels: Pore constriction or dilation?
2013
Structural basis for chemokine recognition and activation of a viral G protein–coupled receptor
2015 Science
Random pinning glass model
2013 StandoutNobel
Pharmacology of the Na v 1.1 domain IV voltage sensor reveals coupling between inactivation gating processes
2017 StandoutNobel
Assessment of the model refinement category in CASP12
2017
Shielded Hydrogen Bonds as Structural Determinants of Binding Kinetics: Application in Drug Design
2011
Ion permeation in K + channels occurs by direct Coulomb knock-on
2014 Science
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
2015 Standout
Molecular Origins of Homogeneous Crystal Nucleation
2012
Structural insight into TRPV5 channel function and modulation
2019 StandoutNobel
Spontaneous and induced dynamic fluctuations in glass formers. I. General results and dependence on ensemble and dynamics
2007
Dynamics on the Way to Forming Glass: Bubbles in Space-Time
2010
Quantum Mechanical Continuum Solvation Models
2005 Standout
Fast Parallel Algorithms for Short-Range Molecular Dynamics
1995 Standout
Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor
2015 StandoutNobel
Spontaneous and induced dynamic correlations in glass formers. II. Model calculations and comparison to numerical simulations
2007
Easy Transition Path Sampling Methods: Flexible-Length Aimless Shooting and Permutation Shooting
2015
Theoretical perspective on the glass transition and amorphous materials
2011
Structure-guided SCHEMA recombination generates diverse chimeric channelrhodopsins
2017 StandoutNobel
Decoupling of exchange and persistence times in atomistic models of glass formers
2007
Shear bands as manifestation of a criticality in yielding amorphous solids
2017 StandoutNobel
A smooth particle mesh Ewald method
1995 Standout
Competing nucleation pathways in a mixture of oppositely charged colloids: Out-of-equilibrium nucleation revisited
2009
Works of Albert C. Pan being referenced
Pathway and mechanism of drug binding to G-protein-coupled receptors
2011
Lengthscale dependence of dynamic four-point susceptibilities in glass formers
2006
Heterogeneity and growing length scales in the dynamics of kinetically constrained lattice gases in two dimensions
2005
Mechanism of Cd2+ Coordination during Slow Inactivation in Potassium Channels
2012
Recovery from slow inactivation in K+ channels is controlled by water molecules
2013 Nature
Structural basis for the coupling between activation and inactivation gates in K+ channels
2010 Nature
Structural basis for modulation of a G-protein-coupled receptor by allosteric drugs
2013 Nature
Structure and dynamics of the M3 muscarinic acetylcholine receptor
2012 StandoutNatureNobel
The Dynamic Process of β2-Adrenergic Receptor Activation
2013 Nobel
Building Markov state models along pathways to determine free energies and rates of transitions
2008
Finding Transition Pathways Using the String Method with Swarms of Trajectories
2008
Decoupling of self-diffusion and structural relaxation during a fragile-to-strong \ncross-over in a kinetically constrained lattice gas
2005
Pathway and Mechanism of Drug Binding to G-Protein-Coupled Receptors
2012
Activation mechanism of theβ2-adrenergic receptor
2011
Transitions to catalytically inactive conformations in EGFR kinase
2013
Dynamics of Nucleation in the Ising Model
2004
Thermodynamic coupling between activation and inactivation gating in potassium channels revealed by free energy molecular dynamics simulations
2011
Neutron Scattering and Monte Carlo Determination of the Variation of the Critical Nucleus Size with Quench Depth
2005
Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein Systems
2016