Standout Papers
Citation Impact
Citing Papers
Adsorbate-induced lattice deformation in IRMOF-74 series
2017
Industrial biocatalysis today and tomorrow
2001 StandoutNature
Chemistry of Soft Porous Crystals: Structural Dynamics and Gas Adsorption Properties
2020 StandoutNobel
GROMACS: Fast, flexible, and free
2005 Standout
Signal Transduction by the JNK Group of MAP Kinases
2000 Standout
Small-Molecule Inhibition of c-MYC:MAX Leucine Zipper Formation Is Revealed by Ion Mobility Mass Spectrometry
2012 StandoutNobel
Refined three-dimensional solution structure of insect defensin A
1995
Improving enzymes by using them in organic solvents
2001 StandoutNature
Recent advances on simulation and theory of hydrogen storage in metal–organic frameworks and covalent organic frameworks
2009
Structure of human cyclophilin and its binding site for cyclosporin A determined by X-ray crystallography and NMR spectroscopy
1991 StandoutNatureNobel
Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL‐53(Cr) upon Thermal Activation and CO2 Adsorption
2008
Changing the Substrate Reactivity of 2-Hydroxybiphenyl 3-Monooxygenase from Pseudomonas azelaica HBP1 by Directed Evolution
2002
Enzymatic functionalization of carbon–hydrogen bonds
2010 StandoutNobel
Activation of the Luteinizing Hormone Receptor Following Substitution of Ser-277 with Selective Hydrophobic Residues in the Ectodomain Hinge Region
2000 StandoutNobel
MMFF VII. Characterization of MMFF94, MMFF94s, and other widely available force fields for conformational energies and for intermolecular-interaction energies and geometries
1999
Solution structure of the major binding protein for the immunosuppressant FK506
1991 Nature
Computational screening of metal–organic frameworks for large-molecule chemical sensing
2010
Calcineurin is a common target of cyclophilin-cyclosporin A and FKBP-FK506 complexes
1991 Standout
Adsorption of CO2, CH4, and N2 on Zeolitic Imidazolate Frameworks: Experiments and Simulations
2009
The Carboxyl-terminal Domain of Phosphophoryn Contains Unique Extended Triplet Amino Acid Repeat Sequences Forming Ordered Carboxyl-Phosphate Interaction Ridges That May Be Essential in the Biomineralization Process
1996
Protein structure prediction
1990
Innate Immunity
1996 StandoutNobel
Separating water isotopologues using diffusion-regulatory porous materials
2022 StandoutNatureNobel
An all-atom distance-dependent conditional probability discriminatory function for protein structure prediction 1 1Edited by F. Cohen
1998
Opening of an Accessible Microporosity in an Otherwise Nonporous Metal–Organic Framework by Polymeric Guests
2017 StandoutNobel
Close agreement between the orientation dependence of hydrogen bonds observed in protein structures and quantum mechanical calculations
2004 StandoutNobel
Near-native structure refinement using in vacuo energy minimization
2007 StandoutNobel
MOF‐FF – A flexible first‐principles derived force field for metal‐organic frameworks
2013
Electrostatic Potential Derived Atomic Charges for Periodic Systems Using a Modified Error Functional
2009
Substrate-Based Cyclic Peptidomimetics of Phe-Ile-Val That Inhibit HIV-1 Protease Using a Novel Enzyme-Binding Mode
1996
Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field
2012
Computer Simulation of Liquids
2017 Standout
Self-Assembly and Mineralization of Peptide-Amphiphile Nanofibers
2001 StandoutScience
Inhibitor-induced enzyme activation in organic solvents.
1988
On the Mechanism of Hydrolysis of Phosphate Monoesters Dianions in Solutions and Proteins
2006 StandoutNobel
Mapping of Functional Groups in Metal-Organic Frameworks
2013 StandoutScienceNobel
Impact of Preparation and Handling on the Hydrogen Storage Properties of Zn4O(1,4-benzenedicarboxylate)3 (MOF-5)
2007 StandoutNobel
Adsorption of Hydrocarbons in Metal–Organic Frameworks: A Force Field Benchmark on the Example of Benzene in Metal–Organic Framework 5
2012
Sorbents for CO2 capture from flue gas—aspects from materials and theoretical chemistry
2010
Metal–Organic Framework Materials as Chemical Sensors
2011 Standout
Proposed three-dimensional structure for the cellular prion protein.
1994 StandoutNobel
Controlling Subtilisin Activity and Selectivity in Organic Media by Imprinting with Nucleophilic Substrates
1997
Sequence–Structure–Binding Relationships Reveal Adhesion Behavior of the Car9 Solid-Binding Peptide: An Integrated Experimental and Simulation Study
2020 StandoutNobel
Temperature-Stable Compelled Composite Superhydrophobic Porous Coordination Polymers Achieved via an Unattainable de Novo Synthetic Method
2018 StandoutNobel
Ion-dependent protein–surface interactions from intrinsic solvent response
2021 StandoutNobel
An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase
2001
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
2004 Standout
Targets for Cell Cycle Arrest by the Immunosuppressant Rapamycin in Yeast
1991 StandoutScience
Mineralization of Synthetic Polymer Scaffolds: A Bottom-Up Approach for the Development of Artificial Bone
2005 StandoutNobel
On achieving better than 1-A accuracy in a simulation of a large protein: Streptomyces griseus protease A.
1993
Amphidynamic Character of Crystalline MOF-5: Rotational Dynamics of Terephthalate Phenylenes in a Free-Volume, Sterically Unhindered Environment
2008 StandoutNobel
Carbon capture and conversion using metal–organic frameworks and MOF-based materials
2019 StandoutNobel
Improved recognition of native-like protein structures using a family of designed sequences
2002 StandoutNobel
Development of Computational Methodologies for Metal–Organic Frameworks and Their Application in Gas Separations
2013
Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal–Organic Framework Zn2(dobpdc)
2018
Ribosomal Synthesis of Dehydroalanine-Containing Peptides
2006 StandoutNobel
Ab Initio Parametrized Force Field for the Flexible Metal–Organic Framework MIL-53(Al)
2012
Accurate Simulation of Surfaces and Interfaces of Face-Centered Cubic Metals Using 12−6 and 9−6 Lennard-Jones Potentials
2008
Peptoids: a modular approach to drug discovery.
1992
Fluorescence Energy-Transfer Probes of Conformation in Peptides: The 2-Aminobenzamide/Nitrotyrosine Pair
1998 StandoutNobel
Quantum chemical computations on parts of large molecules: the ab initio local self consistent field method
1996
On flexible force fields for metal–organic frameworks: Recent developments and future prospects
2018
Reversible Photocontrol of Biological Systems by the Incorporation of Molecular Photoswitches
2013 StandoutNobel
Accurate ab Initio Quantum Chemical Determination of the Relative Energetics of Peptide Conformations and Assessment of Empirical Force Fields
1997
Boron in Drug Discovery: Carboranes as Unique Pharmacophores in Biologically Active Compounds
2011
Target-Oriented and Diversity-Oriented Organic Synthesis in Drug Discovery
2000 StandoutScience
CO2 Capture and Separations Using MOFs: Computational and Experimental Studies
2017
Molecular Modeling in Mineralogy and Geochemistry
2001
Structures of Metal–Organic Frameworks with Rod Secondary Building Units
2016 StandoutNobel
Molecular Dynamics Simulations of Breathing MOFs: Structural Transformations of MIL‐53(Cr) upon Thermal Activation and CO2 Adsorption
2008
Dynamically Controlled Protein Tunneling Paths in Photosynthetic Reaction Centers
2000 Science
A Combined Experimental−Computational Investigation of Carbon Dioxide Capture in a Series of Isoreticular Zeolitic Imidazolate Frameworks
2010 StandoutNobel
NMR Study on the Photoresponsive DNA Tethering an Azobenzene. Assignment of the Absolute Configuration of Two Diastereomers and Structure Determination of Their Duplexes in the trans-Form
2003
Sorption-Induced Breathing in the Flexible Metal Organic Framework CrMIL-53: Force-Field Simulations and Electronic Structure Analysis
2008
Electron Tunneling Pathways and Role of Adenine in Repair of Cyclobutane Pyrimidine Dimer by DNA Photolyase
2012 StandoutNobel
The Interaction of Water with MOF-5 Simulated by Molecular Dynamics
2006
De Novo Carborane-Containing Macrocyclic Peptides Targeting Human Epidermal Growth Factor Receptor
2019 StandoutNobel
Metal–Organic Frameworks for Separations
2011 Standout
Metal–Organic Frameworks in Biomedicine
2011 Standout
Synthesis of Metal-Organic Frameworks (MOFs): Routes to Various MOF Topologies, Morphologies, and Composites
2011 Standout
MEKK1/JNK signaling stabilizes and activates p53
1998
Quantum Mechanical Continuum Solvation Models
2005 Standout
Theoretical Insight into Gate-Opening Adsorption Mechanism and Sigmoidal Adsorption Isotherm into Porous Coordination Polymer
2018 StandoutNobel
Adsorption mechanism of single amino acid and surfactant molecules to Au {111} surfaces in aqueous solution: design rules for metal-binding molecules
2011
Force Field Validation for Molecular Dynamics Simulations of IRMOF-1 and Other Isoreticular Zinc Carboxylate Coordination Polymers
2008
Design and control of gas diffusion process in a nanoporous soft crystal
2019 StandoutScienceNobel
Absorption of CO2 and CS2 into the Hofmann-Type Porous Coordination Polymer: Electrostatic versus Dispersion Interactions
2013 StandoutNobel
Simulations of inorganic–bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities
2016
A New Approach to Mineralization of Biocompatible Hydrogel Scaffolds: An Efficient Process toward 3-Dimensional Bonelike Composites
2003 StandoutNobel
Anhydrous Protein Ions
1999
Carbon Dioxide Capture in Metal–Organic Frameworks
2011 Standout
Receptor-Induced Conformation Change of the Immunosuppressant Cyclosporin A
1991 StandoutScienceNobel
Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry
1990
Method for Analyzing Structural Changes of Flexible Metal−Organic Frameworks Induced by Adsorbates
2009
A smooth particle mesh Ewald method
1995 Standout
Works of M. Genest being referenced
Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase‐trimethoprim, a drug‐receptor system
1988 Standout
Progress in multidimensional NMR investigations of peptide and protein 3-D structures in solution. From structure to functional aspects
1992
Interactions between Asp, His, Ser residues within models of the active site of serine proteases
1982