Citation Impact
Citing Papers
Sulfur [ 18 F]Fluoride Exchange Click Chemistry Enabled Ultrafast Late-Stage Radiosynthesis
2021 StandoutNobel
Energy landscape underlying spontaneous insertion and folding of an alpha-helical transmembrane protein into a bilayer
2018
The promise and challenge of therapeutic genome editing
2020 StandoutNatureNobel
Phosphatidylinositol 4,5-bisphosphate clusters act as molecular beacons for vesicle recruitment
2013 StandoutNobel
Atomic-Resolution Simulations Predict a Transition State for Vesicle Fusion Defined by Contact of a Few Lipid Tails
2010
CHARMM-GUI HMMM Builder for Membrane Simulations with the Highly Mobile Membrane-Mimetic Model
2015
QM/MM Methods for Biomolecular Systems
2009 Standout
Innovation by homologous recombination
2013 StandoutNobel
Hydrophobic mismatch drives self-organization of designer proteins into synthetic membranes
2024 StandoutNobel
Role of Side-Chain Conformational Entropy in Transmembrane Helix Dimerization of Glycophorin A
2003
On the Interpretation of Force-Induced Unfolding Studies of Membrane Proteins Using Fast Simulations
2019 StandoutNobel
High-resolution crystal structure of human protease-activated receptor 1
2012 StandoutNatureNobel
Multi-protein assemblies underlie the mesoscale organization of the plasma membrane
2014 StandoutNobel
Empirical force fields for biological macromolecules: Overview and issues
2004
Density functional theory approach for coarse-grained lipid bilayers
2005
CHARMM general force field: A force field for drug‐like molecules compatible with the CHARMM all‐atom additive biological force fields
2009 Standout
Polarizable empirical force field for nitrogen‐containing heteroaromatic compounds based on the classical Drude oscillator
2008
The Structure of a Receptor with Two Associating Transmembrane Domains on the Cell Surface: Integrin αIIbβ3
2009 StandoutNobel
The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building
2010 Standout
Molecular Dynamics Simulation for All
2018 Standout
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
2016 Standout
Force field dependence of phospholipid headgroup and acyl chain properties: Comparative molecular dynamics simulations of DMPC bilayers
2009
Structure and function of haemoglobins
2017
Structure and function of an irreversible agonist-β2 adrenoceptor complex
2011 StandoutNatureNobel
Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments
2013 Standout
An Electrochemically and Thermally Switchable Donor–Acceptor [c2]Daisy Chain Rotaxane
2014 StandoutNobel
The Mycobacterium tuberculosis Virulence Factor Trehalose Dimycolate Imparts Desiccation Resistance to Model Mycobacterial Membranes
2008 StandoutNobel
GLYCAM06: A generalizable biomolecular force field. Carbohydrates
2007 Standout
Comparison of multiple Amber force fields and development of improved protein backbone parameters
2006 Standout
Engineering an efficient and enantioselective enzyme for the Morita–Baylis–Hillman reaction
2021 StandoutNobel
Simulation-Based Methods for Interpreting X-Ray Data from Lipid Bilayers
2006
Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein
2020 Standout
An ab Initio Study on the Torsional Surface of Alkanes and Its Effect on Molecular Simulations of Alkanes and a DPPC Bilayer
2005
Chimeric β-Lactamases: Global Conservation of Parental Function and Fast Time-Scale Dynamics with Increased Slow Motions
2012
On the binding affinity of macromolecular interactions: daring to ask why proteins interact
2012
A computational approach for predicting off-target toxicity of antiviral ribonucleoside analogues to mitochondrial RNA polymerase
2018 StandoutNobel
A Molecular Dynamics Study of the Response of Lipid Bilayers and Monolayers to Trehalose
2005
Structure and dynamics of the M3 muscarinic acetylcholine receptor
2012 StandoutNatureNobel
Estimations of lipid bilayer geometry in fluid lamellar phases
2000
Molecular Simulation of the Effect of Cholesterol on Lipid-Mediated Protein-Protein Interactions
2010
Polarizability rescaling and atom-based Thole scaling in the CHARMM Drude polarizable force field for ethers
2009
Isolating Conformers to Assess Dynamics of Peptidic Catalysts Using Computationally Designed Macrocyclic Peptides
2021 StandoutNobel
Lennard-Jones Lattice Summation in Bilayer Simulations Has Critical Effects on Surface Tension and Lipid Properties
2013
Reconsidering Dispersion Potentials: Reduced Cutoffs in Mesh-Based Ewald Solvers Can Be Faster Than Truncation
2013
Improving Protein Expression, Stability, and Function with ProteinMPNN
2024 StandoutNobel
Computer Simulation of Liquids
2017 Standout
CHARMM‐GUI: A web‐based graphical user interface for CHARMM
2008 Standout
Pre-transition effects mediate forces of assembly between transmembrane proteins
2016
Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field
2010
The MARTINI Coarse-Grained Force Field: Extension to Proteins
2008 Standout
CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations
2014 Standout
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
2015 Standout
Asymmetric Catalysis Mediated by Synthetic Peptides, Version 2.0: Expansion of Scope and Mechanisms
2020
ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
2015 Standout
Routine Microsecond Molecular Dynamics Simulations with AMBER on GPUs. 2. Explicit Solvent Particle Mesh Ewald
2013 Standout
Determination of Electrostatic Parameters for a Polarizable Force Field Based on the Classical Drude Oscillator
2004
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
“Water-in-salt” electrolyte enables high-voltage aqueous lithium-ion chemistries
2015 StandoutScience
United Atom Lipid Parameters for Combination with the Optimized Potentials for Liquid Simulations All-Atom Force Field
2009
Long-Range Lennard-Jones and Electrostatic Interactions in Interfaces: Application of the Isotropic Periodic Sum Method
2007
Polarizable Empirical Force Field for Alkanes Based on the Classical Drude Oscillator Model
2005
Analysis of Past and Present Synthetic Methodologies on Medicinal Chemistry: Where Have All the New Reactions Gone?
2015 Standout
Azine Activation via Silylium Catalysis
2021 StandoutNobel
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
2008 Standout
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
2013 Standout
Update of the CHARMM All-Atom Additive Force Field for Lipids: Validation on Six Lipid Types
2010 Standout
CHARMM36 all-atom additive protein force field: Validation based on comparison to NMR data
2013 Standout
Artificial Molecular Machines
2015 Standout
Position of Synaptotagmin I at the Membrane Interface: Cooperative Interactions of Tandem C2 Domains
2006
Progress in Modeling of Protein Structures and Interactions
2005 StandoutScienceNobel
G Protein-Coupled Receptors Self-Assemble in Dynamics Simulations of Model Bilayers
2007
The MARTINI Force Field: Coarse Grained Model for Biomolecular Simulations
2007 Standout
Using Multistate Reweighting to Rapidly and Efficiently Explore Molecular Simulation Parameters Space for Nonbonded Interactions
2013
Isotropic periodic sum: A method for the calculation of long-range interactions
2005
Polarizable Empirical Force Field for Aromatic Compounds Based on the Classical Drude Oscillator
2007
Correction of diverse muscular dystrophy mutations in human engineered heart muscle by single-site genome editing
2018
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
2015 Standout
Derivation and Systematic Validation of a Refined All-Atom Force Field for Phosphatidylcholine Lipids
2012
Organocatalysis emerging as a technology
2021 StandoutNobel
CH/π interactions involving aromatic amino acids: Refinement of the CHARMM tryptophan force field
2005
Single-cut genome editing restores dystrophin expression in a new mouse model of muscular dystrophy
2017
CRISPR-Cas guides the future of genetic engineering
2018 StandoutScienceNobel
Additive and Classical Drude Polarizable Force Fields for Linear and Cyclic Ethers
2007
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
2015 Standout
Characterization of a Highly Conserved Domain within the Severe Acute Respiratory Syndrome Coronavirus Spike Protein S2 Domain with Characteristics of a Viral Fusion Peptide
2009
Constant surface tension molecular dynamics simulations of lipid bilayers with trehalose
2006
Comparison of the Extended Isotropic Periodic Sum and Particle Mesh Ewald Methods for Simulations of Lipid Bilayers and Monolayers
2009
Works of Patrick Lagüe being referenced
TEM-1 Backbone Dynamics—Insights from Combined Molecular Dynamics and Nuclear Magnetic Resonance
2010
Lipid-Mediated Interactions between Intrinsic Membrane Proteins: A Theoretical Study Based on Integral Equations
2000
Efficient Restoration of the Dystrophin Gene Reading Frame and Protein Structure in DMD Myoblasts Using the CinDel Method
2016
Molecular Dynamics Simulations of the Influenza Hemagglutinin Fusion Peptide in Micelles and Bilayers: Conformational Analysis of Peptide and Lipids
2005
Lipid-Mediated Interactions between Intrinsic Membrane Proteins: Dependence on Protein Size and Lipid Composition
2001
Protein inclusion in lipid membranes: A theory based on the hypernetted chain integral equation
1999
Ligand Binding to Truncated Hemoglobin N from Mycobacterium tuberculosis Is Strongly Modulated by the Interplay between the Distal Heme Pocket Residues and Internal Water
2008
Discovery of a Non-Estrogenic Irreversible Inhibitor of 17β-Hydroxysteroid Dehydrogenase Type 1 from 3-Substituted-16β-(m-carbamoylbenzyl)-estradiol Derivatives
2013
Pressure-Based Long-Range Correction for Lennard-Jones Interactions in Molecular Dynamics Simulations: Application to Alkanes and Interfaces
2003
Molecular Model of Hemoglobin N from Mycobacterium tuberculosis Bound to Lipid Bilayers: A Combined Spectroscopic and Computational Study
2015
Revisiting the Juliá–Colonna enantioselective epoxidation: supramolecular catalysis in water
2017
Synergistic Applications of MD and NMR for the Study of Biological Systems
2012