Citation Impact
Citing Papers
A CC2 dielectric continuum model and a CC2 molecular mechanics model
2003
GROMACS: Fast, flexible, and free
2005 Standout
Predicting water uptake in poly(perfluorosulfonic acids) using force field simulation methods
2010
Calcium Sparks: Elementary Events Underlying Excitation-Contraction Coupling in Heart Muscle
1993 StandoutScience
Early cardiac hypertrophy in mice with impaired calmodulin regulation of cardiac muscle Ca2+ release channel
2007 StandoutNobel
C-Terminal Complexin Sequence Is Selectively Required for Clamping and Priming But Not for Ca2+Triggering of Synaptic Exocytosis
2012 StandoutNobel
Cryo‐electron microscopy of vitreous sections
2004 StandoutNobel
Relationship between structural order and the anomalies of liquid water
2001 StandoutNature
Electrostatic Origin of the Catalytic Power of Enzymes and the Role of Preorganized Active Sites
1998 StandoutNobel
Facilitatory and inhibitory transmitters modulate calcium influx during action potentials in Aplysia sensory neurons
1990 StandoutNobel
A heteromeric Texas coral snake toxin targets acid-sensing ion channels to produce pain
2011 StandoutNatureNobel
Lipid-Anchored SNAREs Lacking Transmembrane Regions Fully Support Membrane Fusion during Neurotransmitter Release
2013 StandoutNobel
Photocatalytic reactions at the graphite/ice interface
2007
Membrane-Tethered Monomeric Neurexin LNS-Domain Triggers Synapse Formation
2013 StandoutNobel
Calmodulin Suppresses Synaptotagmin-2 Transcription in Cortical Neurons*
2010 StandoutNobel
Three-Dimensional Structure of the Synaptotagmin 1 C2B-Domain
2001 StandoutNobel
Complexin Activates Exocytosis of Distinct Secretory Vesicles Controlled by Different Synaptotagmins
2013 StandoutNobel
Molecular cloning and single-channel properties of the cyclic nucleotide-gated channel from catfish olfactory neurons
1992 StandoutNobel
The GROMOS software for biomolecular simulation: GROMOS05
2005
Molecular dynamics simulations of peptides from BPTI: A closer look at amide—aromatic interactions
1996
Specific Ion Effects at the Air/Water Interface
2005 Standout
Near-native structure refinement using in vacuo energy minimization
2007 StandoutNobel
Water in porous carbons
2001
Geometric and Electronic Structure/Function Correlations in Non-Heme Iron Enzymes
1999 Standout
Energetics of the Catalytic Reaction of Ribonuclease A: A Computational Study of Alternative Mechanisms
1998 StandoutNobel
Time and calcium dependence of activation and inactivation of calcium-induced release of calcium from the sarcoplasmic reticulum of a skinned canine cardiac Purkinje cell.
1985
Vibrational relaxation at the liquid/liquid interface
2004
Structure and Nanostructure in Ionic Liquids
2015 Standout
Computer Simulation of Liquids
2017 Standout
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems
1993 Standout
Water as an Active Constituent in Cell Biology
2007 Standout
Accounting for polarization in molecular simulation
2005
Potential models for simulations of the solvated proton in water
1998
A reappraisal of what we have learnt during three decades of computer simulations on water
2002
Molecular dynamics simulation of polarizable water by an extended Lagrangian method
1992
GROMACS—the road ahead
2011
Molecular Dynamics Simulation of Amphiphilic Bistable [2]Rotaxane Langmuir Monolayers at the Air/Water Interface
2005 StandoutNobel
A new flexible/polarizable water model
1991
Electronic spectra in bulk water and at the water liquid/vapor interface.
1998
Keeping the shape but changing the charges: A simulation study of urea and its iso-steric analogs
1996 StandoutNobel
New Insights into Perfluorinated Sulfonic-Acid Ionomers
2017 Standout
Water Structure from Scattering Experiments and Simulation
2002
A discrete solvent reaction field model for calculating molecular linear response properties in solution
2003
Kinetics of Ca2+ binding to calmodulin and its tryptic fragments studied by 43Ca-NMR
1986
Combined fluctuating charge and polarizable dipole models: Application to a five-site water potential function
2001
Many-body effects in molecular dynamics simulations of Na+(H2O)n and Cl−(H2O)n clusters
1991
Properties of urea–water solvation calculated from a new a b i n i t i o polarizable intermolecular potential
1991
Molecular dynamics results for stretched water
1993
Apparent NAC Effect in Chorismate Mutase Reflects Electrostatic Transition State Stabilization
2003 StandoutNobel
Metal–Organic Frameworks for Water Harvesting from Air
2018 StandoutNobel
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm
2003
Water Stability and Adsorption in Metal–Organic Frameworks
2014 Standout
Effects of Polarizability on the Hydration of the Chloride Ion
1996
Direct measurement of proton transfer rates to a group controlling the dihydropyridine-sensitive Ca2+ channel
1987 Nature
A comparative study of two QM/MM methods testing the validity of the mean field approximation
2001
Molecular dynamics study of water clusters, liquid, and liquid–vapor interface of water with many-body potentials
1997
How Important Are Quantum Mechanical Nuclear Motions in Enzyme Catalysis?
1996 StandoutNobel
Solvent dramatically affects protein structure refinement
2008 StandoutNobel
GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit
2013 Standout
Remarkable patterns of surface water ordering around polarized buckminsterfullerene
2011 StandoutNobel
Molecular dynamics simulation of the water|nitrobenzene interface
1998
Sum-Frequency Vibrational Spectroscopy on Water Interfaces: Polar Orientation of Water Molecules at Interfaces
2006 Standout
The nature of the hydrated excess proton in water
1999 StandoutNature
Second harmonic generation second hyperpolarizability of water calculated using the combined coupled cluster dielectric continuum or different molecular mechanics methods
2004
Quantum-Classical Molecular Dynamics Simulations of Proton Transfer Processes in Molecular Complexes and in Enzymes
1996
Neuroligins/LRRTMs prevent activity- and Ca2+/calmodulin-dependent synapse elimination in cultured neurons
2011 StandoutNobel
Reversible molecular dynamics for rigid bodies and hybrid Monte Carlo
1999
A mean field approach that combines quantum mechanics and molecular dynamics simulation: the water molecule in liquid water
1998
Liquid densities and structural properties of molecular models of water
1995
Nonlinear optical response properties of molecules in condensed phases using the coupled cluster/dielectric continuum or molecular mechanics methods
2003
Photochemical Reactivity of Graphene
2009 StandoutNobel
Interfacial Enzymology: The Secreted Phospholipase A2-Paradigm
2001
New directions in single-molecule imaging and analysis
2007 StandoutNobel
The free surface of water: molecular orientation, surface potential and nonlinear susceptibility
1997
Solvent effects by means of averaged solvent electrostatic potentials: Coupled method
2000
Incorporating intramolecular degrees of freedom in simulations of polarizable liquid water
1990
Langevin Dipoles Model for ab Initio Calculations of Chemical Processes in Solution: Parametrization and Application to Hydration Free Energies of Neutral and Ionic Solutes and Conformational Analysis in Aqueous Solution
1997 StandoutNobel
Quantification of the hydrophobic interaction by simulations of the aggregation of small hydrophobic solutes in water
2001 StandoutNobel
Peptides in ionic solutions: A comparison of the Ewald and switching function techniques
1991
Polarization of the nucleic acid bases in aqueous solution
1992
Computer Simulation Studies of the Catalytic Mechanism of Human Aldose Reductase
2000 StandoutNobel
QM/MMpol: A Consistent Model for Solute/Solvent Polarization. Application to the Aqueous Solvation and Spectroscopy of Formaldehyde, Acetaldehyde, and Acetone
1996
Origin of the Catalytic Power of Acetylcholinesterase: Computer Simulation Studies
1998 StandoutNobel
Quantum Mechanical Continuum Solvation Models
2005 Standout
Phospholipase A2Enzymes: Physical Structure, Biological Function, Disease Implication, Chemical Inhibition, and Therapeutic Intervention
2011 Standout
AMORPHOUS WATER
2004
Simulation of Proton Transfer Reaction Rates: The Role of Solvent Electronic Polarization
1997
A discrete solvent reaction field model for calculating frequency-dependent hyperpolarizabilities of molecules in solution
2003
Single-Molecule Resonance Energy Transfer and Fluorescence Correlation Spectroscopy of Calmodulin in Solution
2004
C2 Domains from Different Ca2+ Signaling Pathways Display Functional and Mechanistic Diversity
2001
A quantum mechanical method for calculating nonlinear optical properties of condensed phase molecules coupled to a molecular mechanics field: A quadratic multiconfigurational self-consistent-field/molecular mechanics response method
2001
Free Energy of the Hydrophobic Interaction from Molecular Dynamics Simulations: The Effects of Solute and Solvent Polarizability
1997
Continuum level treatment of electronic polarization in the framework of molecular simulations of solvation effects
2003
Role of the N- and C-Lobes of Calmodulin in the Activation of Ca2+/Calmodulin-Dependent Protein Kinase II
2008
Calibration and Testing of a Water Model for Simulation of the Molecular Dynamics of Proteins and Nucleic Acids in Solution
1997 StandoutNobel
Molecular Dynamics Simulations of Water with Novel Shell-Model Potentials
2001
Proton-Coupled Electron Transfer
2012 Standout
A smooth particle mesh Ewald method
1995 Standout
Works of Peter Ahlström being referenced
Molecular dynamics simulation of a phospholipase A2-substrate complex
1993
Crystallization Kinetics of Thin Amorphous Water Films on Surfaces
2002
The kinetics of calcium binding to calmodulin: Quin 2 and ANS stopped-flow fluorescence studies
1984
Molecular Dynamics Simulation of Surface Tension for Polar Molecules. Correction for Long-Range Interaction by Generalized van der Waals Theory.
1995
The Virial of Angle Dependent Potentials in Molecular Dynamics Simulations
1994
Monte Carlo simulations of equilibrium solubilities and structure of water in n-alkanes and polyethylene
2007
A molecular dynamics study of polarizable water
1989