Citation Impact
Citing Papers
Comprehensive computational design of ordered peptide macrocycles
2017 StandoutScienceNobel
Transition Metal Thiometalates: Properties and Significance in Complex and Bioinorganic Chemistry
1981 Standout
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021 Standout
3D reconstruction and comparison of shapes of DNA minicircles observed by cryo-electron microscopy
2006 StandoutNobel
Hydrodynamics of soft active matter
2013 Standout
Metal Carboxylates with Open Architectures
2004 Standout
The evolving role of natural products in drug discovery
2005 Standout
The Highly Cooperative Folding of Small Naturally Occurring Proteins Is Likely the Result of Natural Selection
2007 StandoutNobel
QM/MM Methods for Biomolecular Systems
2009 Standout
Funnel‐like organization in sequence space determines the distributions of protein stability and folding rate preferred by evolution
2004 StandoutNobel
Analysis of Anisotropic Side-chain Packing in Proteins and Application to High-resolution Structure Prediction
2004 StandoutNobel
Marine natural products
1990 Standout
Synthetic Molecular Motors and Mechanical Machines
2006 Standout
Folding of a model three-helix bundle protein: a thermodynamic and kinetic analysis 1 1Edited by A. R. Fersht
1999 StandoutNobel
Podophyllotoxin, steganacin and combretastatin: Natural products that bind at the colchicine site of tubulin
1993
Torands Revisited: Metal Sequestration and Self‐Assembly of Cyclo‐2,9‐tris‐1,10‐phenanthroline Hexaaza Macrocycles
2015
Simulating electrostatic energies in proteins: Perspectives and some recent studies of pKas, redox, and other crucial functional properties
2011 StandoutNobel
Bending modes of DNA directly addressed by cryo-electron microscopy of DNA minicircles
2009 StandoutNobel
A Giant Conjugated Molecular Ring
2003 StandoutNobel
Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B‐family polymerases
2007 StandoutNobel
The Dynamic Chemistry of Molecular Borromean Rings and Solomon Knots
2010 StandoutNobel
Exploring potential energy surfaces for chemical reactions: An overview of some practical methods
2003
A short guide for molecular dynamics simulations of RNA systems
2008
Dynamics of the base of ribosomal A-site finger revealed by molecular dynamics simulations and Cryo-EM
2009 StandoutNobel
Nonequilibrium two-phase coexistence in a confined granular layer
2004
Interactions with Aromatic Rings in Chemical and Biological Recognition
2003 Standout
Molecular Dynamics Study of the KcsA Potassium Channel
1999
Using quaternions to calculate RMSD
2004
Homogeneous Electrocatalytic Water Oxidation at Neutral pH by a Robust Macrocyclic Nickel(II) Complex
2014
Modeling protein density of states: Additive hydrophobic effects are insufficient for calorimetric two-state cooperativity
2000
Simulations of ion current in realistic models of ion channels: The KcsA potassium channel
2002 StandoutNobel
Generalized Fluctuation-Dissipation Relation and Effective Temperature Upon Heating a Deeply Supercooled Liquid
2013 StandoutNobel
Nano-magnetite (Fe3O4) as a support for recyclable catalysts in the development of sustainable methodologies
2013 Standout
Discrete molecular dynamics studies of the folding of a protein-like model
1998
An introduction to computational nanomechanics and materials
2004
Effiziente Synthese makrocyclischer Kohlenwasserstoffe mit Durchmessern im Nanometerbereich
1992
Preparation of Some Multifunctionalized Methylenephosphines by Reactions of Chloro[(2,4,6-tri-t-butylphenyl)phosphinidene]methyllithiums with Carbonyl Compounds
1995
Preparation and Molecular Structure of a Cyclic Bisgermylene with two Lutidine Bridging Groups
2009
Computer Simulation of Liquids
2017 Standout
Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+
2006 StandoutNobel
Natural product synthesis from (8aR)- and (8aS)-bicyclofarnesols: synthesis of (+)-wiedendiol A, (+)-norsesterterpene diene ester and (−)-subersic acid
2007
Bis(imino)pyridines: Surprisingly Reactive Ligands and a Gateway to New Families of Catalysts
2007 Standout
Computer simulation of liquid crystals
2005
Overview of constitutive laws, kinematics, homogenization and multiscale methods in crystal plasticity finite-element modeling: Theory, experiments, applications
2009 Standout
All-Catalytic, Efficient, and Asymmetric Synthesis of α,ω-Diheterofunctional Reduced Polypropionates via “One-Pot” Zr-Catalyzed Asymmetric Carboalumination−Pd-Catalyzed Cross-Coupling Tandem Process
2005 StandoutNobel
An efficient and general route to reduced polypropionates via Zr-catalyzed asymmetric C—C bond formation
2004 StandoutNobel
Molecular modelling: Principles and applications
1997
Angular Momentum Form of Verlet Algorithm for Rigid Molecules
2008
Mechanistic Studies on the Cu-Catalyzed Three-Component Reactions of Sulfonyl Azides, 1-Alkynes and Amines, Alcohols, or Water: Dichotomy via a Common Pathway
2008 StandoutNobel
Palladium(0) Complexes with Unsymmetric Bidentate Nitrogen Ligands for the Stereoselective Hydrogenation of 1-Phenyl-1-propyne to (Z)-1-Phenyl-1-propene
2002
Docking and scoring in virtual screening for drug discovery: methods and applications
2004 Standout
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Additions to Metal-Activated Organonitriles
2002 Standout
Mononuclear, homo- and heteropolynuclear complexes with acyclic compartmental Schiff bases
1993
Water electrolysis: from textbook knowledge to the latest scientific strategies and industrial developments
2022 Standout
Structures of high coordination complexes
1977
The interplay of coordinative, hydrogen bonding and π–π stacking interactions in sustaining supramolecular solid-state architectures.
2003
Magnetism of Lanthanides in Molecular Materials with Transition-Metal Ions and Organic Radicals
2002 Standout
From Maxwell demon to Brownian motor
2005
Ammonium di-μ-oxalatotitanate(III) dihydrate: an eight-coordinate, polymeric titanium(III) complex
1993
The C−H···O Hydrogen Bond: Structural Implications and Supramolecular Design
1996 Standout
Evidence for Intramolecular N−H···O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical Investigation
2000 Standout
Synthesis, crystal structures and some reactions of zero-valent tris[bis-1,2-(dimethylphosphino)ethane] derivatives of chromium, molybdenum, tungsten, vanadium, niobium and tantalum
1984
The Chemistry and Biochemistry of Vanadium and the Biological Activities Exerted by Vanadium Compounds
2004 Standout
The coordination chemistry of the amidine ligand
1994
Liquid chromatographic analysis of enantiomeric purity of several terpenoid acids as their 1-(1-naphthyl)ethylamide derivatives
1978
Tuning the structure and function of metal–organic frameworks via linker design
2014 Standout
Copper complexes of 2,6-bis(iminomethyl)pyridine derivatives and of 1,3-bis(pyridin-2-yl)pyrazole. Effects of ligand bulk and conformational strain on the ground state of a six-co-ordinate copper(II) ion
2000
Theoretical Organometallic Chemistry
1981 StandoutScienceNobel
Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications
2007
Dipicolinato(hydroxylamido‐O,N)(nitrosyl)aquavanadate—A Nitrosyl Complex of Vanadium with “side on” Coordinated Hydroxylamine
1978
C–H ⋯ O hydrogen bond patterns in crystalline nitro compounds: studies in solid-state molecular recognition
1994
π-Bonding and the Lone Pair Effect in Multiple Bonds Involving Heavier Main Group Elements: Developments in the New Millennium
2010 Standout
51V NMR studies of vanadium(I) complexes. Equilibria and crystal structure of Na[V(NO)(N(CH2CH2O)3)] and its derivatives
1989 StandoutNobel
Stacking and T-shape Competition in Aromatic−Aromatic Amino Acid Interactions
2002
Efficient Synthesis of Nanoscale Macrocyclic Hydrocarbons
1992
Sequential Monte Carlo Methods for Dynamic Systems
1998 Standout
Sarcophine, a new epoxy cembranolide from marine origin
1974
Poly(aryleneethynylene)s: Syntheses, Properties, Structures, and Applications
2000 Standout
Comparison of Quantum Mechanics and Molecular Mechanics Dimerization Energy Landscapes for Pairs of Ring-Containing Amino Acids in Proteins
2004 StandoutNobel
Polarizable Force Fields: History, Test Cases, and Prospects
2007 StandoutNobel
Observations on the spectra and structures of seven-and eight-co-ordinate oxalato complexes of titanium(III)
1977
N-Heterocyclic Carbene Analogues with Low-Valent Group 13 and Group 14 Elements: Syntheses, Structures, and Reactivities of a New Generation of Multitalented Ligands
2010 Standout
Heterocyclic Nanographenes and Other Polycyclic Heteroaromatic Compounds: Synthetic Routes, Properties, and Applications
2016 Standout
Quantitative Characterization of Domain Motions in Molecular Machines
2017 StandoutNobel
Bioactive isoxazoline and oxime derivatives from 7-ketolignans
1997
Dynamic particle tracking reveals the ageing temperature of a colloidal glass
2006
LARGE-SCALE MOLECULAR-DYNAMICS SIMULATION OF 19 BILLION PARTICLES
2004
Chemical Redox Agents for Organometallic Chemistry
1996 Standout
Intramolecular N–H ⋯ O hydrogen bonding assisted by resonance. Part 2. Intercorrelation between structural and spectroscopic parameters for five 1,3-diketone arylhydrazones derived from dibenzoylmethane
1993
Works of M.G.B. Drew being referenced
The crystal and molecular structure of (+)-(R)-N-methyl-1-[(1-naphthyl)ethyl]-(R)-O-methylmandelamide
1969
Structure of a nickel(III) perchlorate complex of a 14-membered tetraaza macrocycle
1987
Structure of tetraaquatrinitratoneodymium–4,4'-bipyridyl–water (1/2/1)
1987
Benzaldehyde 2-nitrophenylhydrazone, C13H11N3O2
1984
Caesium triaquabis(oxalato)titanate(III) dihydrate
1977
Crystal and molecular structure of tetrachlorobis[ophenylenebis(dimethylarsino)]molybdenum(V) triiodide
1974
Molecular architecture. 1. Sodium, potassium, and strontium complexes of a hexaazamacrocycle; an 18-crown-6/torand analog
1991
The crystal and molecular structure of iododicarbonylbis[bis(dimethylphosphino)ethane]tungsten(II) iodide
1977
Podophyllotoxin analogues: synthesis and computer modelling investigation of structure-activity relationships.
1987
The crystal and molecular structure of potassium hexacyanonitrosovanadate(I)–0.5 potassium hydroxide–0.5 hydrate
1977
The art of molecular dynamics simulation
1996
Structure of the Z isomer of 5-benzylidene-1-methylhydantoin
1987
Convergent Synthesis of the Putative Biogenetic Precursor of Mycaperoxide B and a Norsesterterpene Triene Isolated from an Australian sponge
1999
The crystal and molecular structure of cembrene
1969
Crystal and molecular structure of dichlorobis-(N,N-diisopropylacetamidinato)methyltantalum(V)–l.0 benzene
1975
Structures of (E)-2,3-butanedione 2'-nitrophenylhydrazone (1), C10H11N3O3, (E,E)-2,3-butanedione bis(2'-nitrophenylhydrazone) (2), C16H16N6O4, and (E)-2,3-butanedione 2',4'-dinitrophenylhydrazone (3), C10H10N4O5
1985
Crystal structure of the orthorhombic form of trichlorobis-(N,N'-diisopropylacetamidinato)tantalum(V)
1975