Citation Impact
Citing Papers
Zygomycetes in Human Disease
2000 Standout
Repurposing of Existing Statin Drugs for Treatment of Microbial Infections: How Much Promising?
2018
Acyl chain order parameter profiles in phospholipid bilayers: computation from molecular dynamics simulations and comparison with 2H NMR experiments
2007
Antibiotics: past, present and future
2019 Standout
Review on plant antimicrobials: a mechanistic viewpoint
2019 Standout
Voriconazole or Amphotericin B as Primary Therapy Yields Distinct Early Serum Galactomannan Trends Related to Outcomes in Invasive Aspergillosis
2014
Absolute binding free energy calculations: On the accuracy of computational scoring of protein–ligand interactions
2010 StandoutNobel
Spectroscopic studies of amphotericin B–Cu2+ complexes
2011
A human ether-á-go-go-related (hERG) ion channel atomistic model generated by long supercomputer molecular dynamics simulations and its use in predicting drug cardiotoxicity
2014 StandoutNobel
Examining the case for the effect of barrier compression on tunneling, vibrationally enhanced catalysis, catalytic entropy and related issues
2010 StandoutNobel
Natamycin Blocks Fungal Growth by Binding Specifically to Ergosterol without Permeabilizing the Membrane
2007
How to obtain statistically converged MM/GBSA results
2009
Effects of Temperature on the p53-DNA Binding Interactions and Their Dynamical Behavior: Comparing the Wild Type to the R248Q Mutant
2011
Contrasting cellular uptake pathways for chlorido and iodido iminopyridine ruthenium arene anticancer complexes
2012
Discovery of a regioselectivity switch in nitrating P450s guided by molecular dynamics simulations and Markov models
2016 StandoutNobel
The concentration-dependent nature of in vitro amphotericin B–itraconazole interaction against Aspergillus fumigatus: isobolographic and response surface analysis of complex pharmacodynamic interactions
2006
Quantitative and Qualitative Analysis of the Antifungal Activity of Allicin Alone and in Combination with Antifungal Drugs
2012
A Link between Linearmycin Biosynthesis and Extracellular Vesicle Genesis Connects Specialized Metabolism and Bacterial Membrane Physiology
2017
Structure of Cytochrome P450 PimD Suggests Epoxidation of the Polyene Macrolide Pimaricin Occurs via a Hydroperoxoferric Intermediate
2010
Improved Antifungal Polyene Macrolides via Engineering of the Nystatin Biosynthetic Genes in Streptomyces noursei
2008
Dipalmitoylphosphatidylcholine membranes modified with carotenoid pigment lutein: Experiment versus Monte Carlo simulation study of the membrane organization
2008
FTIR spectroscopic study of molecular organization of the antibiotic amphotericin B in aqueous solution and in DPPC lipid monolayers containing the sterols cholesterol and ergosterol
2012
Influence of Grid Spacing in Poisson–Boltzmann Equation Binding Energy Estimation
2013
Synthesis of 2-substituted-N-[4-(1-methyl-4,5-diphenyl-1H-imidazole-2-yl)phenyl]acetamide derivatives and evaluation of their anticancer activity
2010
Simulating electrostatic energies in proteins: Perspectives and some recent studies of pKas, redox, and other crucial functional properties
2011 StandoutNobel
Modeling the human Na<sub>v</sub>1.5 sodium channel: structural and mechanistic insights of ion permeation and drug blockade
2017 StandoutNobel
Lipid nanoparticles (LNP) induce activation and maturation of antigen presenting cells in young and aged individuals
2023 StandoutNobel
Structure and folding of disulfide‐rich miniproteins: Insights from molecular dynamics simulations and MM‐PBSA free energy calculations
2008
Natural products in crop protection
2009 Standout
Novel antifungal agents: a patent review (2011 – present)
2014
Contributions to the binding free energy of ligands to avidin and streptavidin
2002
Mechanisms of drug combinations: interaction and network perspectives
2009 Standout
Click Chemistry: 1,2,3‐Triazoles as Pharmacophores
2011 Standout
Amphotericin forms an extramembranous and fungicidal sterol sponge
2014
Capturing the energetics of water insertion in biological systems: The water flooding approach
2012 StandoutNobel
New Lead Structures in Antifungal Drug Discovery
2011
The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities
2015 Standout
Calculations of protein-ligand binding entropy of relative and overall molecular motions
2007
A comprehensive examination of the contributions to the binding entropy of protein–ligand complexes
2010 StandoutNobel
Cisplatin: The first metal based anticancer drug
2019 Standout
Dependence of vacuole disruption and independence of potassium ion efflux in fungicidal activity induced by combination of amphotericin B and allicin against Saccharomyces cerevisiae
2010
Electrostatic Contributions to the Binding Free Energy of the λcI Repressor to DNA
1998
Ion Channel Behavior of Amphotericin B in Sterol-Free and Cholesterol- or Ergosterol-Containing Supported Phosphatidylcholine Bilayer Model Membranes Investigated by Electrochemistry and Spectroscopy
2002
At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?
2009 StandoutNobel
Cisplatin-Membrane Interactions and Their Influence on Platinum Complexes Activity and Toxicity
2019
Organization of polyene antibiotic amphotericin B at the argon–water interface
2008
Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery
2011 Standout
The clinical progress of mRNA vaccines and immunotherapies
2022
Probing the importance of lipid diversity in cell membranes via molecular simulation
2015
Drug Discovery and Natural Products: End of an Era or an Endless Frontier?
2009 StandoutScience
Zygomycetes in Human Disease
2000 Standout
CHARMM-GUIMembrane Buildertoward realistic biological membrane simulations
2014 Standout
CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field
2015 Standout
Allicin: Chemistry and Biological Properties
2014 Standout
Simulation of conformational transitions
2006
MMPBSA.py: An Efficient Program for End-State Free Energy Calculations
2012 Standout
Raman Spectroscopic Study of Aggregation Process of Antibiotic Amphotericin B Induced by H+, Na+, and K+ Ions
2011
Implicit Solvation Models: Equilibria, Structure, Spectra, and Dynamics
1999 Standout
Molecular Dynamics Simulations of the TEM-1 β-Lactamase Complexed with Cephalothin
2005
Bioplastic made from seaweed polysaccharides with green production methods
2021 Standout
The development of anticancer ruthenium(ii ) complexes: from single molecule compounds to nanomaterials
2017 Standout
Synthesis and in vitro cytotoxic activity of pyrrolo[2,3-e]indole derivatives and a dihydro benzoindole analogue
2002
Functionally Rigid and Degenerate Molecular Shuttles
2008 StandoutNobel
Practice Guidelines for the Diagnosis and Management of Aspergillosis: 2016 Update by the Infectious Diseases Society of America
2016 Standout
Toward Understanding of Toxic Side Effects of a Polyene Antibiotic Amphotericin B: Fluorescence Spectroscopy Reveals Widespread Formation of the Specific Supramolecular Structures of the Drug
2012
Amphotericin B: current understanding of mechanisms of action
1990
Cytosolic expression, solution structures, and molecular dynamics simulation of genetically encodable disulfide‐rich de novo designed peptides
2018 StandoutNobel
Versatile Peptide C-Terminal Functionalization via a Computationally Engineered Peptide Amidase
2016 StandoutNobel
A Refined Model of the HCV NS5A Protein Bound to Daclatasvir Explains Drug-Resistant Mutations and Activity against Divergent Genotypes
2014 StandoutNobel
Electrostatic Origin of the Catalytic Effect of a Supramolecular Host Catalyst
2012 StandoutNobel
Ligand Affinities Estimated by Quantum Chemical Calculations
2010
Efficient evaluation of electrostatic potential with computerized optimized code
2021
Molecular Docking: Challenges, Advances and its Use in Drug Discovery Perspective
2018 Standout
Natural product and natural product derived drugs in clinical trials
2014 Standout
Treatment of Aspergillosis: Clinical Practice Guidelines of the Infectious Diseases Society of America
2008 Standout
Protein-Ligand Binding Affinity Predictions by Implicit Solvent Simulations: A Tool for Lead Optimization?
2006
A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn
2024 Standout
The exciton model in molecular spectroscopy
1965 Standout
Toward Accurate Microscopic Calculation of Solvation Entropies: Extending the Restraint Release Approach to Studies of Solvation Effects
2009 StandoutNobel
Antifungal Properties of Fucus vesiculosus L. Supercritical Fluid Extract Against Fusarium culmorum and Fusarium oxysporum
2019
Spectroscopic Evidence for Self-Organization of N-Iodoacetylamphotericin B in Crystalline and Amorphous Phases
2012
Biological importance of the indole nucleus in recent years: A comprehensive review
2010 Standout
Preferred Orientations of Phosphoinositides in Bilayers and Their Implications in Protein Recognition Mechanisms
2014
g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations
2014 Standout
Prescribed drugs containing nitrogen heterocycles: an overview
2020 Standout
Detailed Computational Study of the Active Site of the Hepatitis C Viral RNA Polymerase to Aid Novel Drug Design
2013 StandoutNobel
Works of Maciej Bagiński being referenced
Comparative conformational analysis of cholesterol and ergosterol by molecular mechanics
1989
Comparative Molecular Dynamics Study of Lipid Membranes Containing Cholesterol and Ergosterol
2006
Ion passage pathways and thermodynamics of the amphotericin B membrane channel
2002
Molecular Properties of Amphotericin B Membrane Channel: A Molecular Dynamics Simulation
1997
Interaction of amphotericin B and its selected derivatives with membranes: molecular modeling studies
2006
Molecular aspects of the interaction between amphotericin B and a phospholipid bilayer: molecular dynamics studies
2004
MM/PBSA analysis of molecular dynamics simulations of bovine β‐lactoglobulin: Free energy gradients in conformational transitions?
2005
Amphotericin B and Its New Derivatives – Mode of Action
2009
Electrostatic and non-electrostatic contributions to the binding free energies of anthracycline antibiotics to DNA
1997
Conformational analysis of Amphotericin B
1997
Comparative molecular dynamics simulations of amphotericin B–cholesterol/ergosterol membrane channels
2002
Modulation of Amphotericin B Membrane Interaction by Cholesterol and ErgosterolA Molecular Dynamics Study
2006
Molecular modelling of membrane activity of amphotericin B, a polyene macrolide antifungal antibiotic.
2005
Comparative analysis of the distribution of the molecular electrostatic potential for cholesterol and ergosterol
1994
How Do Sterols Determine the Antifungal Activity of Amphotericin B? Free Energy of Binding between the Drug and Its Membrane Targets
2010
Comparative analysis of the distribution of the molecular electrostatic potential for cholesterol and ergosterol
1994
Distribution of electrostatic potential around amphotericin B and its membrane targets
1997
Highly Conserved Homotrimer Cavity Formed by the SARS-CoV-2 Spike Glycoprotein: A Novel Binding Site
2020
Interaction of cisplatin and two potential antitumoral platinum(ii ) complexes with a model lipid membrane: a combined NMR and MD study
2014