Citation Impact
Citing Papers
Compilation of Henry's law constants (version 4.0) for water as solvent
2015 Standout
Henry's law constants of polyols
2014
Opportunities and risks of ChatGPT in medicine, science, and academic publishing: a modern Promethean dilemma
2023
A grid of MARCS model atmospheres for late-type stars
2008 Standout
Development of metaverse for intelligent healthcare
2022 Standout
The Stability Landscape of de novo TIM Barrels Explored by a Modular Design Approach
2021 StandoutNobel
Computational design of soluble and functional membrane protein analogues
2024 StandoutNatureNobel
High-yield production of graphene by liquid-phase exfoliation of graphite
2008 Standout
Virtual reality adoption during the COVID-19 pandemic: A uses and gratifications perspective
2021
Protein interactions in human pathogens revealed through deep learning
2024 StandoutNobel
Emerging Strategies to Combat ESKAPE Pathogens in the Era of Antimicrobial Resistance: A Review
2019 Standout
Cyclodextrins as pharmaceutical solubilizers
2007 Standout
The role of autophagy in neurodegenerative disease
2013 Standout
Trafficking of G-protein-coupled receptors to the plasma membrane: insights for pharmacoperone drugs
2009
Predicting physical properties of ionic liquids
2005
Evolution, folding, and design of TIM barrels and related proteins
2021
ConSurf 2016: an improved methodology to estimate and visualize evolutionary conservation in macromolecules
2016 Standout
Bioinformatics and the Metaverse: Are We Ready?
2022
Synthesis and in vitro evaluation of new derivatives of 2-substituted-6-fluorobenzo[d]thiazoles as cholinesterase inhibitors
2013
Molecular Dynamics Simulation for All
2018 Standout
CHARMM36m: an improved force field for folded and intrinsically disordered proteins
2016 Standout
Modulation of GABAA receptor desensitization uncouples sleep onset and maintenance in Drosophila
2008 StandoutNobel
Interaction of the Antimicrobial Peptide Polymyxin B1 with Both Membranes of E. coli: A Molecular Dynamics Study
2015
Pharmacological Chaperones for Misfolded Gonadotropin-Releasing Hormone Receptors
2011
Halogen bonding and other σ-hole interactions: a perspective
2013 Standout
The Hydrophobic Effect Revisited—Studies with Supramolecular Complexes Imply High‐Energy Water as a Noncovalent Driving Force
2014
Structural basis of outer membrane protein insertion by the BAM complex
2016 Nature
Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
2012 StandoutNatureNobel
Revolutionizing healthcare: the role of artificial intelligence in clinical practice
2023 Standout
The antibiotic darobactin mimics a β-strand to inhibit outer membrane insertase
2021 Nature
Biomembranes in atomistic and coarse-grained simulations
2015
Perspective on the Martini model
2013
A comprehensive review in current developments of benzothiazole-based molecules in medicinal chemistry
2014 Standout
ChatGPT Utility in Healthcare Education, Research, and Practice: Systematic Review on the Promising Perspectives and Valid Concerns
2023 Standout
Lennard-Jones Lattice Summation in Bilayer Simulations Has Critical Effects on Surface Tension and Lipid Properties
2013
Characterization of the bifurcated structure of the water dimer
1991 StandoutNobel
Densities and refractive indices of the deep eutectic solvents (choline chloride + ethylene glycol or glycerol) and their aqueous mixtures at the temperature ranging from 298.15 to 333.15 K
2012
Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2
2011 Standout
Computer Simulation of Liquids
2017 Standout
HITEMP, the high-temperature molecular spectroscopic database
2010 Standout
Radiative transfer for inhomogeneous atmospheres: RRTM, a validated correlated‐k model for the longwave
1997 Standout
Models of late-type stellar photospheres
1994
Virtual Reality Metaverse System Supplementing Remote Education Methods: Based on Aircraft Maintenance Simulation
2022 Standout
How does basis set superposition error change the potential surfaces for hydrogen-bonded dimers?
1996 Standout
Cucurbituril-Based Molecular Recognition
2015 Standout
The HITRAN molecular database: Editions of 1991 and 1992
1992
Phase change materials, their synthesis and application in textiles—a review
2019 Standout
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Studies with a flexible new radiation code. I: Choosing a configuration for a large‐scale model
1996 Standout
Computational Prediction of the Heterodimeric and Higher-Order Structure of gpE1/gpE2 Envelope Glycoproteins Encoded by Hepatitis C Virus
2017 StandoutNobel
Vapor–liquid equilibria for systems of diethyl carbonate and ketones and determination of group interaction parameters for the UNIFAC and ASOG methods
2005
CHARMM TIP3P Water Model Suppresses Peptide Folding by Solvating the Unfolded State
2016
Force Field Optimization Guided by Small Molecule Crystal Lattice Data Enables Consistent Sub-Angstrom Protein–Ligand Docking
2021 StandoutNobel
Deep Eutectic Solvents: A Review of Fundamentals and Applications
2020 Standout
Insights into the Synthesis and Properties of Deep Eutectic Solvents Based on Cholinium Chloride and Carboxylic Acids
2014 Standout
Thermodynamic investigation of N,N-dimethylformamide/toluene binary mixtures in the temperature range from 278.15 to 293.15 K
2005
Organic Carbonates as Solvents in Synthesis and Catalysis
2010 Standout
Kilohertz linewidth from frequency-stabilized mid-infrared quantum cascade lasers
1999 StandoutNobel
A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations
1990 Standout
A possible definition of basis set superposition error
1994
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
2015 Standout
Density and refractive index in mixtures of ionic liquids and organic solvents: Correlations and predictions
2008
Going Backward: A Flexible Geometric Approach to Reverse Transformation from Coarse Grained to Atomistic Models
2013
A theoretical study of the water dimer interaction
1988
Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors
2011
Investigation of Drug-Cyclodextrin Complexes by a Phase-Distribution Method: Some Theoretical and Practical Considerations
2005
Quantum Mechanical Continuum Solvation Models
2005 Standout
An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications
2016
Strong Closed-Shell Interactions in Inorganic Chemistry
1997 Standout
Effects of Lipid Composition on Bilayer Membranes Quantified by All-Atom Molecular Dynamics
2015
Heat Capacity of Liquids: Critical Review and Recommended Values. Supplement I
2001
Applications of the basic polarizable continuum model. A study of the vibrational properties of diatomic solutes
1990
THE HITRAN MOLECULAR SPECTROSCOPIC DATABASE AND HAWKS (HITRAN ATMOSPHERIC WORKSTATION): 1996 EDITION
1998 Standout
Structure-guided SCHEMA recombination generates diverse chimeric channelrhodopsins
2017 StandoutNobel
Efficient techniques for the decomposition of intermolecular interaction energy at SCF level and beyond
1991
Works of Ángel Piñeiro being referenced
The Role of AI in Drug Discovery: Challenges, Opportunities, and Strategies
2023
An immersive journey to the molecular structure of SARS-CoV-2: Virtual reality in COVID-19
2020
Conformational effects of Lys191 in the human GnRH receptor: mutagenesis and molecular dynamics simulations studies
2009
A strategy based on thermal flexibility to design triosephosphate isomerase proteins with increased or decreased kinetic stability
2018
The “True” Affinities of Metal Cations to p‐Sulfonatocalix[4]arene: A Thermodynamic Study at Neutral pH Reveals a Pitfall Due to Salt Effects in Microcalorimetry
2013
AFFINImeter: A software to analyze molecular recognition processes from experimental data
2019
Interplay between Protein Thermal Flexibility and Kinetic Stability
2017
On the Self-Assembly of a Highly Selective Benzothiazole-Based TIM Inhibitor in Aqueous Solution
2010
Semiempirical estimate of vibration-rotational intensities of SiS
1987
Ab initio calculations of intermolecular potentials. The ground state of the ArH2 van der Waals molecule
1985
Rotational and vibration-rotational intensities of CS isotopes
1987
Multiscale molecular dynamics simulations of micelles: coarse-grain for self-assembly and atomic resolution for finer details
2012
Thermodynamics of Mixtures Involving Some Linear or Cyclic Ketones and Cyclic Ethers. 2. Systems Containing Tetrahydropyran
2003
Measurement of high overtone intensities of HBr by two-tone frequency-modulation spectroscopy
1988
Refractive indices, molar volumes and molar refractions of binary liquid mixtures: concepts and correlationsElectronic supplementary information (ESI) available: Table of data (S1) and figures (S1–S5). See http://www.rsc.org/suppdata/cp/b2/b208765k/Presented in part at the 17th IUPAC Conference on Chemical Thermodynamics, July 2002, Rostok, Germany.
2003
Thermodynamics of the interaction between hydroxypropyl-α-cyclodextrin and alkanols in aqueous solutions
2003
Thermodynamics of Mixtures Involving Some Linear or Cyclic Ketones and Cyclic Ethers. 1. Systems Containing Tetrahydrofuran
2002
A proposal for the estimation of binary mixture activity coefficients from surface tension measurements throughout the entire concentration range
2007
Molecular Dynamics Simulations Reveal Insights into Key Structural Elements of Adenosine Receptors
2011
Surface tensions and refractive indices of (tetrahydrofuran +n -alkanes) atT =298.15 K
1999
Modeling and Molecular Dynamics Simulation of the Human Gonadotropin-Releasing Hormone Receptor in a Lipid Bilayer
2008
Extended Langmuir Isotherm for Binary Liquid Mixtures
2001
Calculation of the absolute infrared frequencies and intensities of a diatomic molecule or of local diatomic groups
1985
Molecular Dynamics Simulations of Phosphatidylcholine Membranes: A Comparative Force Field Study
2012
Activity Coefficients at Infinite Dilution from Surface Tension Data
2002