Citation Impact
Citing Papers
Characterizing and explaining the impact of disease-associated mutations in proteins without known structures or structural homologs
2022 StandoutNobel
Bile acid–microbiota crosstalk in gastrointestinal inflammation and carcinogenesis
2017 Standout
Absolute binding free energy calculations: On the accuracy of computational scoring of protein–ligand interactions
2010 StandoutNobel
Supramolecular Binding Thermodynamics by Dispersion‐Corrected Density Functional Theory
2012 Standout
Voltage-sensitive magnetic gels as magnetic resonance monitoring agents
1993 StandoutNatureNobel
Prediction of drug–ABC-transporter interaction — Recent advances and future challenges
2015
Effects of point mutations in the binding pocket of the mouse major urinary protein MUP20 on ligand affinity and specificity
2019
Mechanized Silica Nanoparticles Based on Pillar[5]arenes for On‐Command Cargo Release
2013 StandoutNobel
Binding of Cationic and Neutral Phenanthridine Intercalators to a DNA Oligomer Is Controlled by Dispersion Energy: Quantum Chemical Calculations and Molecular Mechanics Simulations
2005
More than a Simple Lipophilic Contact: A Detailed Thermodynamic Analysis of Nonbasic Residues in the S1 Pocket of Thrombin
2009
SwissBioisostere: a database of molecular replacements for ligand design
2012
The ups and downs of Poly(ADP-ribose) Polymerase-1 inhibitors in cancer therapy–Current progress and future direction
2020
How much do van der Waals dispersion forces contribute to molecular recognition in solution?
2013
Structure-Guided Directed Evolution of Highly Selective P450-Based Magnetic Resonance Imaging Sensors for Dopamine and Serotonin
2012 StandoutNobel
Structural and Thermodynamic Study on Aldose Reductase: Nitro-substituted Inhibitors with Strong Enthalpic Binding Contribution
2006
The Role of Canalicular ABC Transporters in Cholestasis
2014
Origin of Heat Capacity Changes in a “Nonclassical” Hydrophobic Interaction
2007
Molecular interaction between (−)-epigallocatechin-3-gallate and bovine lactoferrin using multi-spectroscopic method and isothermal titration calorimetry
2014
The use of spirocyclic scaffolds in drug discovery
2014 Standout
New and unusual scaffolds in medicinal chemistry
2011
Thermodynamic Penalty Arising from Burial of a Ligand Polar Group Within a Hydrophobic Pocket of a Protein Receptor
2006
Capturing the energetics of water insertion in biological systems: The water flooding approach
2012 StandoutNobel
Chemical predictive modelling to improve compound quality
2013
Advancing Drug Discovery via Artificial Intelligence
2019
Phase equilibria of cholesterol/dipalmitoylphosphatidylcholine mixtures: deuterium nuclear magnetic resonance and differential scanning calorimetry
1990 Standout
Intermolecular and Intramolecular Hydrogen Bonds Involving Fluorine Atoms: Implications for Recognition, Selectivity, and Chemical Properties
2012
The ChEMBL database in 2017
2016 Standout
Preferential Affinity of the Components of Liquid Mixtures at a Rigid Non‐Polar Surface: Enthalpic and Entropic Driving Forces
2011
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
2017 Standout
The Open Access Malaria Box: A Drug Discovery Catalyst for Neglected Diseases
2013
Molecular daisy chains
2012 StandoutNobel
Rethinking drug design in the artificial intelligence era
2019
Water, water everywhere — except where it matters?
2007
Lipid polymorphism and the functional roles of lipids in biological membranes
1979 Standout
Deuterium magnetic resonance: theory and application to lipid membranes
1977
Anticancer Activity Expressed by a Library of 2,9-Diazaperopyrenium Dications
2015 StandoutNobel
Efficient Incorporation of Protein Flexibility and Dynamics into Molecular Docking Simulations
2011
Artificial intelligence and business models in the sustainable development goals perspective: A systematic literature review
2020 Standout
Deuteron NMR on single crystals. EFGs, signs of quadrupole coupling constants, and assignment of σ tensors in malonic acid
1982
Molecular dynamics of acetylcholine and of choline
1972 StandoutNobel
Artificial intelligence in drug discovery and development
2020 Standout
pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures
2015 Standout
Gadolinium(III) Chelates as MRI Contrast Agents: Structure, Dynamics, and Applications
1999 Standout
Time-domain zero-field magnetic resonance with field pulse excitation
1985 StandoutNobel
Fluorine and Fluorinated Motifs in the Design and Application of Bioisosteres for Drug Design
2018 Standout
Structure of the STRA6 receptor for retinol uptake
2016 StandoutScienceNobel
Spectroscopic studies of specifically deuterium labeled membrane systems. Nuclear magnetic resonance investigation of the effects of cholesterol in model systems
1978
Nuclear relaxation and molecular properties
1971 StandoutNobel
Molecular dynamics—VII
1972 StandoutNobel
Dynamic control of plant water use using designed ABA receptor agonists
2019 Science
Single Crystal Study of the 19F Shielding Tensors of a Trifluoromethyl Group
1972
Water in Cavity−Ligand Recognition
2010
Oxadiazoles in Medicinal Chemistry
2011 Standout
Hydrogen bond dynamics in isotopically substituted benzoic acid dimers
1990 StandoutNobel
Identification of the retinol‐binding protein (RBP) interaction site and functional state of RBPs for the membrane receptor
2007
Interfacial Catalysis: the Mechanism of Phospholipase A 2
1990 StandoutScience
A comparative study of covalent and non-covalent interactions between zein and polyphenols in ethanol-water solution
2016 Standout
The Origin of Chalcogen-Bonding Interactions
2017 Standout
Molecular dynamics—VI
1972 StandoutNobel
Deuterium-NMR study of microscopic effects in collapsing polyacrylamide gels
1991
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules
2019 Standout
Low frequency pulse excitation in zero field magnetic resonance
1988 StandoutNobel
Deuterium magnetic resonance, applications in chemistry, physics and biology
1977
Deuteron Quadrupole Coupling Constants in Deuterocarbons
1969
Nuclear magnetic resonance – from molecules to man
1987 StandoutNobel
A Solid-State NMR Study of Tungsten Methyl Group Dynamics in [W(η5-C5Me5)Me4][PF6]
1996 StandoutNobel
Molecular Docking: Challenges, Advances and its Use in Drug Discovery Perspective
2018 Standout
Deuterium Relaxation in a Uniformly 15N-Labeled Homeodomain and Its DNA Complex1
1997 StandoutNobel
A study of hydrogen-bond dynamics in carboxylic acids by NMR T1 measurements: isotope effects and hydrogen-bond length dependence
1987
13C high-resolution NMR study of doped polyacetylene
1984 StandoutNobel
31P NMR of Phospholipid membranes: Effects of chemical and anisotropy at high magnetic field strengths
1975
Formation of a Cyclic Dimer Containing Two Mirror Image Monomers in the Solid State Controlled by van der Waals Forces
2011
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
2021 Standout
Relationships between the carbon-oxygen stretching frequencies of carboxylato complexes and the type of carboxylate coordination
1980 Standout
Transitions induced in a double minimum system by interaction with a quantum mechanical heat bath
1990 StandoutNobel
Deuterium nuclear magnetic resonance investigation of dimyristoyllecithin-dipalmitoyllecithin and dimyristoyllecithin-cholesterol mixtures
1979
Prediction of the Water Content in Protein Binding Sites
2009
How Can Hydrophobic Association Be Enthalpy Driven?
2010
The physiology of plant responses to drought
2020 StandoutScience
Applications of Fluorine in Medicinal Chemistry
2015 Standout
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
2015 Standout
Structures and Dynamics of Lanthanide(III) Complexes of Sugar-Based DTPA-bis(amides) in Aqueous Solution: A Multinuclear NMR Study
1997
Correlating Structure and Energetics in Protein-Ligand Interactions: Paradigms and Paradoxes
2013
A matched molecular pair analysis of in vitro human microsomal metabolic stability measurements for methylene substitution or replacements – identification of those transforms more likely to have beneficial effects
2012
A Medicinal Chemist’s Guide to Molecular Interactions
2010 Standout
Axial asymmetry in the nuclear magnetic resonance spectra of deuterated methyl groups: An alternative explanation
1994
Measurements of Chemical-Shift Tensors in KH2PO4 by First-Moment Method
1974
Tensor correlation by 2D spin-diffusion powder NMR spectroscopy: determination of the asymmetry of the hydrogenbond potential in benzoic acid
1991 StandoutNobel
Nuclear relaxation and motional anisotropy of liquids-triazine
1974 StandoutNobel
Improving the Efficiency of Ligand-Binding Protein Design with Molecular Dynamics Simulations
2019 StandoutNobel
Works of Daniel J. Warner being referenced
Mitigating the Inhibition of Human Bile Salt Export Pump by Drugs: Opportunities Provided by Physicochemical Property Modulation, In Silico Modeling, and Structural Modification
2012
Prospective Prediction of Antitarget Activity by Matched Molecular Pairs Analysis
2012
The discovery of new spirocyclic muscarinic M3 antagonists
2010
A deuteron magnetic resonance study of a single crystal of deuterated malonic acid
1969
Measurements of fluorine and phosphorus chemical shift anisotropies
1969
Matched Molecular Pairs as a Medicinal Chemistry Tool
2011
Van der Waals Interactions Dominate Ligand−Protein Association in a Protein Binding Site Occluded from Solvent Water
2005
Deuteron magnetic resonance in deuterated L alanine
1968
WizePairZ: A Novel Algorithm to Identify, Encode, and Exploit Matched Molecular Pairs with Unspecified Cores in Medicinal Chemistry
2010
A deuteron magnetic resonance study of deuterated glycine
1967