Citation Impact
Citing Papers
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Computer Aided Drug Design: Success and Limitations
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A comparison of heuristic search algorithms for molecular docking
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2004
GEMDOCK: A generic evolutionary method for molecular docking
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2006 StandoutNobel
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1998
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2000
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2001
Catalytic Site Prediction and Virtual Screening of Cytochrome P450 2D6 Substrates by Consideration of Water and Rescoring in Automated Docking
2006
Complexation of Polyoxometalates with Cyclodextrins
2015 StandoutNobel
Extensive Reliability Evaluation of Docking-Based Target-Fishing Strategies
2019
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2005
DOCK 6: Impact of new features and current docking performance
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2004
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2009
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Broadly Tunable Atmospheric Water Harvesting in Multivariate Metal–Organic Frameworks
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Comparative Evaluation of 11 Scoring Functions for Molecular Docking
2003
Design and Quantitative Structure−Activity Relationship of 3-Amidinobenzyl-1H-indole-2-carboxamides as Potent, Nonchiral, and Selective Inhibitors of Blood Coagulation Factor Xa
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Activation-Independent Cyclization of Monoterpenoids
2011
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2003
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2002
Lead Finder: An Approach To Improve Accuracy of Protein−Ligand Docking, Binding Energy Estimation, and Virtual Screening
2008
Carbohydrate-Mediated Purification of Petrochemicals
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Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise
2013
In Silico and NMR Identification of Inhibitors of the IGF-I and IGF-Binding Protein-5 Interaction
2002
Bcl-2-mediated alterations in endoplasmic reticulum Ca 2+ analyzed with an improved genetically encoded fluorescent sensor
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ProSelection: A Novel Algorithm to Select Proper Protein Structure Subsets for in Silico Target Identification and Drug Discovery Research
2017
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2003
Ligand−Protein DataBase: Linking Protein−Ligand Complex Structures to Binding Data
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Evaluation of Docking Performance: Comparative Data on Docking Algorithms
2003
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2015
Extra Precision Glide: Docking and Scoring Incorporating a Model of Hydrophobic Enclosure for Protein−Ligand Complexes
2006 Standout
Diverse, High-Quality Test Set for the Validation of Protein−Ligand Docking Performance
2007
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2021 StandoutNobel
Molecular Docking: Shifting Paradigms in Drug Discovery
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FlexE: efficient molecular docking considering protein structure variations
2001
WATER MEDIATION IN PROTEIN FOLDING AND MOLECULAR RECOGNITION
2006
FlexAID: Revisiting Docking on Non-Native-Complex Structures
2015
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
2009
Dioxygen Activation at Mononuclear Nonheme Iron Active Sites: Enzymes, Models, and Intermediates
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Lessons in Molecular Recognition: The Effects of Ligand and Protein Flexibility on Molecular Docking Accuracy
2003
Peripheral sensory coding through oscillatory synchrony in weakly electric fish
2015
Exploiting Ordered Waters in Molecular Docking
2008
Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1
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New Approach to Molecular Docking and Its Application to Virtual Screening of Chemical Databases
2000
Macromolecular Modeling with Rosetta
2008 StandoutNobel
Lessons in Molecular Recognition. 2. Assessing and Improving Cross-Docking Accuracy
2007
Structure-based discovery of β 2 -adrenergic receptor ligands
2009 StandoutNobel
Improved Scoring of Ligand−Protein Interactions Using OWFEG Free Energy Grids
2001
Automated flexible ligand docking method and its application for database search
1997
Dynamic Docking: A Paradigm Shift in Computational Drug Discovery
2017
Consensus Scoring: A Method for Obtaining Improved Hit Rates from Docking Databases of Three-Dimensional Structures into Proteins
1999
LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery
2011 Standout
The maximal affinity of ligands
1999
Flexible docking using tabu search and an empirical estimate of binding affinity
1998
Consensus Docking: Improving the Reliability of Docking in a Virtual Screening Context
2013
Addressing Limitations with the MM-GB/SA Scoring Procedure using the WaterMap Method and Free Energy Perturbation Calculations
2010
Cancer prevention by tea polyphenols is linked to their direct inhibition of antiapoptotic Bcl-2-family proteins.
2003
Application of Binding Free Energy Calculations to Prediction of Binding Modes and Affinities of MDM2 and MDMX Inhibitors
2012
Assessing Scoring Functions for Protein−Ligand Interactions
2004
sc-PDB: an Annotated Database of Druggable Binding Sites from the Protein Data Bank
2006
Two-Stage Method for Protein−Ligand Docking
1999
Calculation of Protein-Ligand Binding Affinities
2007
Three-Dimensional Similarity in Molecular Docking: Prioritizing Ligand Poses on the Basis of Experimental Binding Modes
2016
MolDock: A New Technique for High-Accuracy Molecular Docking
2006 Standout
Influence of Constitution and Charge on Radical Pairing Interactions in Tris-radical Tricationic Complexes
2016 StandoutNobel
Molecular Recognition and Docking Algorithms
2003
Combining docking and molecular dynamic simulations in drug design
2006
Computer Simulation Studies of the Catalytic Mechanism of Human Aldose Reductase
2000 StandoutNobel
De Novo Computational Design of Retro-Aldol Enzymes
2008 StandoutScienceNobel
Novel Procedure for Modeling Ligand/Receptor Induced Fit Effects
2005 Standout
Protein-Based Virtual Screening of Chemical Databases. 1. Evaluation of Different Docking/Scoring Combinations
2000
Reaching the global minimum in docking simulations: A Monte Carlo energy minimization approach using Bezier splines
1998
A Critical Assessment of Docking Programs and Scoring Functions
2005
Virtual Screening for Submicromolar Leads of tRNA-guanine Transglycosylase Based on a New Unexpected Binding Mode Detected by Crystal Structure Analysis
2003
Glide: A New Approach for Rapid, Accurate Docking and Scoring. 2. Enrichment Factors in Database Screening
2004 Standout
A General and Fast Scoring Function for Protein−Ligand Interactions: A Simplified Potential Approach
1999
Design of Heme Enzymes with a Tunable Substrate Binding Pocket Adjacent to an Open Metal Coordination Site
2023 StandoutNobel
A Flexible Approach to Induced Fit Docking
2007
The Many Roles of Computation in Drug Discovery
2004 Science
A Method for Induced-Fit Docking, Scoring, and Ranking of Flexible Ligands. Application to Peptidic and Pseudopeptidic β-secretase (BACE 1) Inhibitors
2005
A Knowledge-Based Energy Function for Protein−Ligand, Protein−Protein, and Protein−DNA Complexes
2005
A New Concept for Multidimensional Selection of Ligand Conformations (MultiSelect) and Multidimensional Scoring (MultiScore) of Protein−Ligand Binding Affinities
2001
Works of Bernd Krämer being referenced
A Fast Flexible Docking Method using an Incremental Construction Algorithm
1996 Standout
Multiple automatic base selection: Protein–ligand docking based on incremental construction without manual intervention
1997
Docking of hydrophobic ligands with interaction-based matching algorithms.
1999
Female choice by electric pulse duration: attractiveness of the males'communication signal assessed by female bulldog fish,Marcusenius pongolensis(Mormyridae, Teleostei)
2008
Intra-male variability of its communication signal in the weakly electric fish, Marcusenius macrolepidotus (South African form), and possible functions
2005
The particle concept: placing discrete water molecules during protein-ligand docking predictions
1999
Trained Weakly‐electric Fishes Pollimyrus isidori and Gnathonemus petersii (Mormyridae, Teleostei) Discriminate between Waveforms of Electric Pulse Discharges
1992
Virtual high-throughput screening of molecular databases.
2007
Time-efficient docking of flexible ligands into active sites of proteins.
1995
Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking
1999
CASP2 experiences with docking flexible ligands using FLEXX
1997