Citation Impact
Citing Papers
An enumerative algorithm for de novo design of proteins with diverse pocket structures
2020 StandoutNobel
Loss of conformational entropy in protein folding calculated using realistic ensembles and its implications for NMR-based calculations
2014 StandoutNobel
Innovative scattering analysis shows that hydrophobic disordered proteins are expanded in water
2017 StandoutScienceNobel
Global analysis of protein folding using massively parallel design, synthesis, and testing
2017 StandoutScienceNobel
Protein homology model refinement by large-scale energy optimization
2018 StandoutNobel
Transferrin receptor targeting by de novo sheet extension
2021 StandoutNobel
Developing a molecular dynamics force field for both folded and disordered protein states
2018
Structural basis for nucleotide exchange in heterotrimeric G proteins
2015 ScienceNobel
Accurate computational design of multipass transmembrane proteins
2018 StandoutScienceNobel
Collapse Precedes Folding in Denaturant-Dependent Assembly of Ubiquitin
2017
The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach
2021 StandoutNobel
Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
2021 StandoutNobel
Sampling of structure and sequence space of small protein folds
2022 StandoutNobel
An Analysis of Biomolecular Force Fields for Simulations of Polyglutamine in Solution
2015
The Retinal Pigment Epithelium in Visual Function
2005 Standout
Accurate structure prediction of peptide–MHC complexes for identifying highly immunogenic antigens
2013
Describing intrinsically disordered proteins at atomic resolution by NMR
2013
Age-Related Macular Degeneration
2008 Standout
Forces stabilizing proteins
2014
High-resolution crystal structure of human protease-activated receptor 1
2012 StandoutNatureNobel
The contribution of intrinsic disorder prediction to the elucidation of protein function
2013
Assessing the accuracy of physical models used in protein-folding simulations: quantitative evidence from long molecular dynamics simulations
2014
Improving de novo protein binder design with deep learning
2023 StandoutNobel
Iris color, skin sun sensitivity, and age-related maculopathy
1998
Molecular Dynamics Simulation for All
2018 Standout
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
2016 Standout
Key role of the REC lobe during CRISPR–Cas9 activation by ‘sensing’, ‘regulating’, and ‘locking’ the catalytic HNH domain
2018 StandoutNobel
Protein folding and de novo protein design for biotechnological applications
2013
Macular pigment and age related macular degeneration
1999
A structure-based computational workflow to predict liability and binding modes of small molecules to hERG
2020 StandoutNobel
Age-related macular degeneration
2012 Standout
Efficient conformational sampling of peptides adsorbed onto inorganic surfaces: insights from a quartz binding peptide
2013
Inclusion of Many-Body Effects in the Additive CHARMM Protein CMAP Potential Results in Enhanced Cooperativity of α-Helix and β-Hairpin Formation
2012
Mammalian display screening of diverse cystine-dense peptides for difficult to drug targets
2017 StandoutNobel
Considerations and Challenges in Studying Liquid-Liquid Phase Separation and Biomolecular Condensates
2019 Standout
Improved protein structure refinement guided by deep learning based accuracy estimation
2021 StandoutNobel
Role of backbone strain in de novo design of complex α/β protein structures
2021 StandoutNobel
Validating Solution Ensembles from Molecular Dynamics Simulation by Wide-Angle X-ray Scattering Data
2014
The coming of age of de novo protein design
2016 StandoutNatureNobel
To milliseconds and beyond: challenges in the simulation of protein folding
2012
Glucose-Neopentyl Glycol (GNG) amphiphiles for membrane protein study
2012 StandoutNobel
Salt Bridge in Aqueous Solution: Strong Structural Motifs but Weak Enthalpic Effect
2018
Are Protein Force Fields Getting Better? A Systematic Benchmark on 524 Diverse NMR Measurements
2012
De novo design of a fluorescence-activating β-barrel
2018 StandoutNatureNobel
De novo design of bioactive protein switches
2019 StandoutNatureNobel
The Relationship of Ocular Factors to the Incidence and Progression of Age-Related Maculopathy
1998
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
Molecular mechanism of GPCR-mediated arrestin activation
2018 Nature
Refinement of protein structure homology models via long, all‐atom molecular dynamics simulations
2012
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
Programmable design of orthogonal protein heterodimers
2018 StandoutNatureNobel
The future of molecular dynamics simulations in drug discovery
2011
Systematic Validation of Protein Force Fields against Experimental Data
2012
Structural basis of receptor recognition by SARS-CoV-2
2020 StandoutNature
PyEMMA 2: A Software Package for Estimation, Validation, and Analysis of Markov Models
2015
Balanced Protein–Water Interactions Improve Properties of Disordered Proteins and Non-Specific Protein Association
2014
Computer Simulation of Liquids
2017 Standout
Quantitative comparison of villin headpiece subdomain simulations and triplet–triplet energy transfer experiments
2011
Perspective: Markov models for long-timescale biomolecular dynamics
2014
Structural Ensembles of Intrinsically Disordered Proteins Depend Strongly on Force Field: A Comparison to Experiment
2015
GolP-CHARMM: First-Principles Based Force Fields for the Interaction of Proteins with Au(111) and Au(100)
2013
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
2015 Standout
Sequence–Structure–Binding Relationships Reveal Adhesion Behavior of the Car9 Solid-Binding Peptide: An Integrated Experimental and Simulation Study
2020 StandoutNobel
Force-Field Dependence of Chignolin Folding and Misfolding: Comparison with Experiment and Redesign
2012
Folding the proteome
2013
Benchmarking all-atom simulations using hydrogen exchange
2014
Next Generation of Fluorine-Containing Pharmaceuticals, Compounds Currently in Phase II–III Clinical Trials of Major Pharmaceutical Companies: New Structural Trends and Therapeutic Areas
2016 Standout
Ion-dependent protein–surface interactions from intrinsic solvent response
2021 StandoutNobel
Accuracy of Current All-Atom Force-Fields in Modeling Protein Disordered States
2014
Significant Refinement of Protein Structure Models Using a Residue-Specific Force Field
2015
Optimization of the Additive CHARMM All-Atom Protein Force Field Targeting Improved Sampling of the Backbone ϕ, ψ and Side-Chain χ1 and χ2 Dihedral Angles
2012 Standout
Peptide-binding specificity prediction using fine-tuned protein structure prediction networks
2023 StandoutNobel
Evaluating the Strength of Salt Bridges: A Comparison of Current Biomolecular Force Fields
2014
Classification of Intrinsically Disordered Regions and Proteins
2014 Standout
Slow Unfolded-State Structuring in Acyl-CoA Binding Protein Folding Revealed by Simulation and Experiment
2012
How force unfolding differs from chemical denaturation
2014
De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures
2017 StandoutNobel
Evaluation and Optimization of Discrete State Models of Protein Folding
2012 StandoutNobel
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
2013 Standout
Biointerface Structural Effects on the Properties and Applications of Bioinspired Peptide-Based Nanomaterials
2017
Polarizable Force Field for Peptides and Proteins Based on the Classical Drude Oscillator
2013
Water Dispersion Interactions Strongly Influence Simulated Structural Properties of Disordered Protein States
2015
CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
2013 Standout
Context and Force Field Dependence of the Loss of Protein Backbone Entropy upon Folding Using Realistic Denatured and Native State Ensembles
2012
New tricks for old dogs: improving the accuracy of biomolecular force fields by pair-specific corrections to non-bonded interactions
2018
Computational protein structure refinement: almost there, yet still so far to go
2017
Biomolecular Recognition Principles for Bionanocombinatorics: An Integrated Approach To Elucidate Enthalpic and Entropic Factors
2013
De novo design of small beta barrel proteins
2023 StandoutNobel
Insights into the binding of intrinsically disordered proteins from molecular dynamics simulation
2013
How Fast-Folding Proteins Fold
2011 Science
Networks of electrostatic and hydrophobic interactions modulate the complex folding free energy surface of a designed βα protein
2019 StandoutNobel
Folding Simulations for Proteins with Diverse Topologies Are Accessible in Days with a Physics-Based Force Field and Implicit Solvent
2014
Accelerated molecular dynamics simulations of protein folding
2015
Facet selectivity in gold binding peptides: exploiting interfacial water structure
2015
Allosteric Modulation of Substrate Binding within a Tetracationic Molecular Receptor
2015 StandoutNobel
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
2015 Standout
Top-down design of protein architectures with reinforcement learning
2023 StandoutScienceNobel
Demonstrating an Order-of-Magnitude Sampling Enhancement in Molecular Dynamics Simulations of Complex Protein Systems
2016
Works of David Shaw being referenced
Computational Design and Experimental Testing of the Fastest-Folding β-Sheet Protein
2010
How Robust Are Protein Folding Simulations with Respect to Force Field Parameterization?
2011
Structure and Dynamics of an Unfolded Protein Examined by Molecular Dynamics Simulation
2012
Atomic-level description of ubiquitin folding
2013
Interaction Networks in Protein Folding via Atomic-Resolution Experiments and Long-Time-Scale Molecular Dynamics Simulations
2015
Senile cataract and senile macular degeneration: an investigation into possible risk factors.
1986
Protein folding kinetics and thermodynamics from atomistic simulation
2012
Atomistic Description of the Folding of a Dimeric Protein
2013
Picosecond to Millisecond Structural Dynamics in Human Ubiquitin
2016