Citation Impact
Citing Papers
Shaping up the protein folding funnel by local interaction: Lesson from a structure prediction study
2006
Improvement of comparative model accuracy by free-energy optimization along principal components of natural structural variation
2004 StandoutNobel
AB INITIO QUANTUM CHEMICAL AND MIXED QUANTUM MECHANICS/MOLECULAR MECHANICS (QM/MM) METHODS FOR STUDYING ENZYMATIC CATALYSIS
2005
SuFEx-enabled, agnostic discovery of covalent inhibitors of human neutrophil elastase
2019 StandoutNobel
Navigating the protein fitness landscape with Gaussian processes
2012 StandoutNobel
Olefin Cyclopropanation via Carbene Transfer Catalyzed by Engineered Cytochrome P450 Enzymes
2012 StandoutScienceNobel
High-Resolution Crystal Structure of an Engineered Human β 2 -Adrenergic G Protein–Coupled Receptor
2007 StandoutScienceNobel
Thermodynamic prediction of protein neutrality
2005 StandoutNobel
Piezo1 and Piezo2 Are Essential Components of Distinct Mechanically Activated Cation Channels
2010 StandoutScienceNobel
Modulation of immune cell reactivity with cis -binding Siglec agonists
2021 StandoutNobel
Evolution of new nonantibody proteins via iterative somatic hypermutation
2004 StandoutNobel
Exploiting conformational dynamics to modulate the function of designed proteins
2023 StandoutNobel
Architecture of a Fungal Fatty Acid Synthase at 5 A Resolution
2006 Science
Protein stability promotes evolvability
2006 StandoutNobel
De novo design of modular and tunable protein biosensors
2021 StandoutNatureNobel
Potent and Selective Triazole-Based Inhibitors of the Hypoxia-Inducible Factor Prolyl-Hydroxylases with Activity in the Murine Brain
2015 StandoutNobel
Quantitative structure–pharmacokinetic/pharmacodynamic relationships
2006
Botulinum neurotoxin B recognizes its protein receptor with high affinity and specificity
2006 Nature
Selection and evolution of enzymes from a partially randomized non-catalytic scaffold
2007 StandoutNatureNobel
Combinatorial and computational challenges for biocatalyst design
2001 StandoutNatureNobel
Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans
1997
Novel technologies for virtual screening
2004
Calpain-mediated cleavage of Atg5 switches autophagy to apoptosis
2006 Standout
Binding site characteristics in structure-based virtual screening: evaluation of current docking tools
2003
Detecting hidden sequence propensity for amyloid fibril formation
2004
Physicochemical Profiling (Solubility, Permeability and Charge State)
2001
Autophagy fights disease through cellular self-digestion
2008 StandoutNature
Diversification of Catalytic Function in a Synthetic Family of Chimeric Cytochrome P450s
2007 StandoutNobel
LigandFit: a novel method for the shape-directed rapid docking of ligands to protein active sites
2002
Principles for designing ideal protein structures
2012 StandoutNatureNobel
Comparative study of several algorithms for flexible ligand docking
2003
Analysis of shuffled gene libraries
2002 StandoutNobel
Essential Role of the Main Olfactory System in Social Recognition of Major Histocompatibility Complex Peptide Ligands
2006
Functional Evolution and Structural Conservation in Chimeric Cytochromes P450
2004 StandoutNobel
Modeling anticancer drug–DNA interactions via mixed QM/MM molecular dynamics simulations
2006
Allosteric Site on Muscarinic Acetylcholine Receptors: Identification of Two Amino Acids in the Muscarinic M2 Receptor That Account Entirely for the M2/M5 Subtype Selectivities of Some Structurally Diverse Allosteric Ligands in N-Methylscopolamine-Occupied Receptors
2003
A detailed comparison of current docking and scoring methods on systems of pharmaceutical relevance
2004
A Classical and Ab Initio Study of the Interaction of the Myosin Triphosphate Binding Domain with ATP
2002
Oncogenic Mutations Counteract Intrinsic Disorder in the EGFR Kinase and Promote Receptor Dimerization
2012 StandoutNobel
In vivo priming of virus-specific cytotoxic T lymphocytes with synthetic lipopeptide vaccine
1989 Nature
De novo design of bioactive protein switches
2019 StandoutNatureNobel
Reaction mechanism of caspases: Insights from QM/MM Car–Parrinello simulations
2003
Nucleoside triphosphate-binding proteins: different scaffolds to achieve phosphoryl transfer
1999
Lead compounds discovered from libraries
2001
Interactions with Aromatic Rings in Chemical and Biological Recognition
2003 Standout
The importance of extended conformations and, in particular, the PII conformation for the molecular recognition of peptides
1995
Protein evolution by molecular breeding
1999
Protein–ligand docking: Current status and future challenges
2006
Structure of a β1-adrenergic G-protein-coupled receptor
2008 StandoutNatureNobel
Man-made enzymes — from design to in vitro compartmentalisation
2000
A Photoswitchable Miniprotein Based on the Sequence of Avian Pancreatic Polypeptide
2006
Protein‐based virtual screening of chemical databases. II. Are homology models of g‐protein coupled receptors suitable targets?
2002
Computer Aided Drug Design: Success and Limitations
2016
Effect of the damping function in dispersion corrected density functional theory
2011 Standout
AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading
2009 Standout
The Crystal Structure of Yeast Fatty Acid Synthase, a Cellular Machine with Eight Active Sites Working Together
2007 StandoutNobel
Protein dynamics and motions in relation to their functions: several case studies and the underlying mechanisms
2013
Design of protein conformational switches
2006
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations
2006
Siglec-9 transduces apoptotic and nonapoptotic death signals into neutrophils depending on the proinflammatory cytokine environment
2005
Sulfatase-activated fluorophores for rapid discrimination of mycobacterial species and strains
2013 StandoutNobel
Quantitative exploration of the molecular origin of the activation of GTPase
2013 StandoutNobel
Designed evolution of enzymatic properties
2000 StandoutNobel
Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints
2006
Protein Conformational Transitions: The Closure Mechanism of a Kinase Explored by Atomistic Simulations
2008
Electronic properties of hard and soft ions in solution: Aqueous Na+ and Ag+ compared
2001
Electrostatic Role of Phosphate 2485 in the Large Ribosomal Unit from H. marismortui
2003
In the light of directed evolution: Pathways of adaptive protein evolution
2009 StandoutNobel
The MHC Class I-Restricted Immune Response to HIV-gag in BALB/c Mice Selects a Single Epitope That Does Not Have a Predictable MHC-Binding Motif and Binds to Kd Through Interactions Between a Glutamine at P3 and Pocket D
1998
What Has Polar Surface Area Ever Done for Drug Discovery?
2011
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 1. Method and Assessment of Docking Accuracy
2004 Standout
Comparative Evaluation of 11 Scoring Functions for Molecular Docking
2003
Cation-π versus OH-π Interactions in Proteins: A Density Functional Study
2000
Protein‐Templated Fragment Ligations—From Molecular Recognition to Drug Discovery
2017
Comparable T helper 1 (Th1) and CD8 T-cell immunity by targeting HIV gag p24 to CD8 dendritic cells within antibodies to Langerin, DEC205, and Clec9A
2011 StandoutNobel
Olfactory neurons expressing transient receptor potential channel M5 (TRPM5) are involved in sensing semiochemicals
2007 StandoutNobel
Surflex: Fully Automatic Flexible Molecular Docking Using a Molecular Similarity-Based Search Engine
2003
Maximally localized Wannier functions constructed from projector-augmented waves or ultrasoft pseudopotentials
2007
De novo design of protein homo-oligomers with modular hydrogen-bond network–mediated specificity
2016 StandoutScienceNobel
Integrin activation by Fam38A uses a novel mechanism of R-Ras targeting to the endoplasmic reticulum
2009
Sequence optimization and designability of enzyme active sites
2005
Fluorine in Pharmaceuticals: Looking Beyond Intuition
2007 StandoutScience
Quantitative analysis of the effect of the mutation frequency on the affinity maturation of single chain Fv antibodies
2000
De novo design of covalently constrained mesosize protein scaffolds with unique tertiary structures
2017 StandoutNobel
Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1
2021 StandoutNobel
Reversible Photocontrol of Biological Systems by the Incorporation of Molecular Photoswitches
2013 StandoutNobel
Structure-based discovery of β 2 -adrenergic receptor ligands
2009 StandoutNobel
A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
2010 Standout
ATP Hydrolysis in Water − A Density Functional Study
2003
Maximally localized Wannier functions: Theory and applications
2012 Standout
Molecular breeding: The natural approach to protein design
2001
A Highly Convergent Total Synthetic Route to Glycopeptides Carrying a High‐Mannose Core Pentasaccharide Domain N‐linked to a Natural Peptide Motif
1997
Comprehensive Survey of Combinatorial Library Synthesis: 2005
2006
Chemically tunable mucin chimeras assembled on living cells
2015 StandoutNobel
Protein Design: Toward Functional Metalloenzymes
2014
The Combinatorial Synthesis of Bicyclic Privileged Structures or Privileged Substructures
2003 Standout
Ab Initio Molecular Dynamics Computation of the Infrared Spectrum of Aqueous Uracil
2003
Electrostatic Basis for Enzyme Catalysis
2006 StandoutNobel
On the conservative nature of intragenic recombination
2005 StandoutNobel
Fmoc-Based Synthesis of Peptide-αThioesters: Application to the Total Chemical Synthesis of a Glycoprotein by Native Chemical Ligation
1999 StandoutNobel
The 3D profile method for identifying fibril-forming segments of proteins
2006 StandoutNobel
Predicting Binding Affinities of Protein Ligands from Three-Dimensional Models: Application to Peptide Binding to Class I Major Histocompatibility Proteins
1999
Presentation of a Viral T Cell Epitope Expressed in the CDR3 Region of a Self Immunoglobulin Molecule
1993 StandoutScienceNobel
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
2004 Standout
Photopharmacology: Beyond Proof of Principle
2014 StandoutNobel
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
2004 Standout
Steroid Sulfatase: Molecular Biology, Regulation, and Inhibition
2005
Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
2001
Ab Initio Molecular Dynamics-Based Assignment of the Protonation State of Pepstatin A/HIV-1 Protease Cleavage Site
2001
Creation of drug-specific herpes simplex virus type 1 thymidine kinase mutants for gene therapy.
1996
In Vivo Protein Transduction: Delivery of a Biologically Active Protein into the Mouse
1999 StandoutScience
Construction and Validation of Improved Triple Fusion Reporter Gene Vectors for Molecular Imaging of Living Subjects
2007 StandoutNobel
Works of Gerd Folkers being referenced
Calpain-1 Regulates Bax and Subsequent Smac-dependent Caspase-3 Activation in Neutrophil Apoptosis
2004
Substrate Diversity of Herpes Simplex Virus Thymidine Kinase
1999
Protonation States of Methionine Aminopeptidase and Their Relevance for Inhibitor Binding and Catalytic Activity
2003
An analysis of the helix-to-strand transition between peptides with identical sequence
2000
Bovine Pancreatic Polypeptide (bPP) Undergoes Significant Changes in Conformation and Dynamics upon Binding to DPC Micelles
2002
Directed evolution of thymidine kinase for AZT phosphorylation using DNA family shuffling
1999
Density functional studies on herpes simplex virus type 1 thymidine kinase–substrate interactions: The role of Tyr-172 and Met-128 in thymine fixation
1998
The crystal structure of PfFabZ, the unique β‐hydroxyacyl‐ACP dehydratase involved in fatty acid biosynthesis of Plasmodium falciparum
2005
Identification of Steroid Sulfate Transport Processes in the Human Mammary Gland
2003
Use of fluorescence polarization to monitor MHC–peptide interactions in solution
2001
Nucleoside binding site ofHerpes simplex type 1 thymidine kinase analyzed by X-ray crystallography
2000
Molecular modeling of an antigenic complex between a viral peptide and a class I major histocompatibility glycoprotein
1992
Estimation of Blood-Brain Barrier Crossing of Drugs Using Molecular Size and Shape, and H-Bonding Descriptors
1998
The three‐dimensional structure of thymidine kinase from Herpes simplex virus type 1
1995
Molecular dynamics study of a complex between the human histocompatibility antigen HLA‐A2 and the IMP58‐66 nonapeptide from influenza virus matrix protein
1992
The effect of substrate binding on the conformation and structural stability of Herpes simplex virus type 1 thymidine kinase
2001
Tautomerism in Computer‐Aided Drug Design
2003
Review of theoretical passive drug absorption models: Historical background, recent developments and limitations
1996
Three‐dimensional model of the cyclin‐dependent kinase 1 (CDK1): Ab initio active site parameters for molecular dynamics studies of CDKS
2001
Molecular Dynamics Simulation of MHC-Peptide Complexes as a Tool for Predicting Potential T Cell Epitopes
1994
The Rational of Catalytic Activity of Herpes Simplex Virus Thymidine Kinase
2001
Comparison of passive drug transport through Caco-2 cells and artificial membranes
1997
Shapes of membrane permeability–lipophilicity curves: Extension of theoretical models with an aqueous pore pathway
1998
Molecular dynamics of the α‐helical epitope of a novel synthetic lipopeptide foot‐and‐mouth disease virus vaccine
1989
The structures of thymidine kinase fromHerpes simplexvirus type 1 in complex with substrates and a substrate analogue
1997
Binding Mode Prediction of Cytochrome P450 and Thymidine Kinase Protein−Ligand Complexes by Consideration of Water and Rescoring in Automated Docking
2005
Molecular Modeling: Basic Principles and Applications
1996
Rational design of nonnatural peptides as high-affinity ligands for the HLA-B*2705 human leukocyte antigen.
1995
Peptides related to the active fragment of “proline rich polypeptide”, an immunoregulatory protein of the ovine colostrums
1990
Estimation of Caco‐2 Cell Permeability using Calculated Molecular Descriptors
1996
Antibiotics and antiviral compounds, chemical synthesis and modification
1994
Conformational analysis of dimethyl phosphate in aqueous solution: a density functional theory-based molecular dynamics study
1999
Strongly Altered Receptor Binding Properties in PP and NPY Chimeras Are Accompanied by Changes in Structure and Membrane Binding,
2005
Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations
2000
Random Chemistry as a New Tool for the Generation of Small Compound Libraries: Development of a New Acetylcholinesterase Inhibitor
2005
Dimethyl Phosphate: Stereoelectronic versus Environmental Effects
1999
Thermodynamics of Protein–Ligand Interactions: History, Presence, and Future Aspects
2004