Research graph
References from Future trends in structural biology. Local targets link to admitted publications; unresolved targets remain external evidence.
Role of the active-site solvent in the thermodynamics of factor Xa ligand binding
10.1021/ja0771033 · 2008 · External reference
Conformational dynamics of intrinsically disordered proteins regulate biomolecular condensate chemistry
10.1021/acs.chemrev.1c00774 · 2022 · External reference
Unresolved reference
External reference
Linking machine learning and biophysical structural features in drug discovery
10.3389/fmolb.2024.1305272 · 2025 · External reference
Probing the interaction of memantine, an important Alzheimer's drug, with human serum albumin: in silico and in vitro approach
10.1016/j.molliq.2021.116888 · 2021 · External reference
Protein aggregation and neurodegenerative disease: structural outlook for the novel therapeutics
10.1002/prot.26561 · 2025 · External reference
3D structure of the influenza virus polymerase complex: localization of subunit domains
10.1073/pnas.0307127101 · 2004 · External reference
Systematic multiscale simulation of membrane protein systems
10.1016/j.sbi.2009.03.001 · 2009 · External reference
Multiscale modeling of biomolecular systems: in serial and in parallel
10.1016/j.sbi.2007.03.004 · 2007 · External reference
Advancing time-resolved structural biology: latest strategies in cryo-EM and X-ray crystallography
10.1038/s41592-025-02659-6 · 2025 · External reference
Allosterism vs. orthosterism: recent findings and future perspectives on A2B AR physio-pathological implications
10.3389/fphar.2021.652121 · 2021 · External reference
Fragment-to-hit-to-lead discovery of a novel pyridylurea scaffold of ATP competitive dual targeting type II topoisomerase inhibiting antibacterial agents
10.1021/jm401208b · 2013 · External reference
Biophysical elucidation of fibrillation inhibition by sugar osmolytes in α-lactalbumin: multispectroscopic and molecular docking approaches
10.1021/acsomega.0c04062 · 2020 · External reference
Natural products against tau hyperphosphorylation-induced aggregates: potential therapies for Alzheimer's disease
10.1002/ardp.202400721 · 2025 · External reference
G-quadruplex–stalled eukaryotic replisome structure reveals helical inchworm DNA translocation
10.1126/science.adt1978 · 2025 · External reference
The reflection of X-rays by crystals
10.1098/rspa.1913.0040 · 1913 · External reference
The structure of some crystals as indicated by their diffraction of X-rays
10.1098/rspa.1913.0083 · 1913 · External reference
Advances and challenges in time-resolved macromolecular crystallography
10.1126/science.aba0954 · 2021 · External reference
A possible three-dimensional structure of bovine α-lactalbumin based on that of hen's egg-white lysozyme
10.1016/0022-2836(69)90487-2 · 1969 · External reference
High-throughput screening assay datasets from the pubchem database
2017 · External reference
High-resolution mapping of linear antibody epitopes using ultrahigh-density peptide microarrays
10.1074/mcp.m112.020800 · 2012 · External reference
10.1007/978-1-60761-244-5_3
10.1007/978-1-60761-244-5_3 · External reference
Plant-derived natural products: a source for drug discovery and development
10.3390/ddc3010011 · 2024 · External reference
Revealing Higher order protein structure using mass spectrometry
10.1007/s13361-016-1385-1 · 2016 · External reference
The concept of allosteric modulation: an overview
10.1016/j.ddtec.2012.07.007 · 2013 · External reference
Algorithm selection for protein–ligand docking: strategies and analysis on ACE
2023 · External reference
Structure-based maximal affinity model predicts small-molecule druggability
10.1038/nbt1273 · 2007 · External reference
Automatic discovery of metastable states for the construction of Markov models of macromolecular conformational dynamics
10.1063/1.2714538 · 2007 · External reference
Ion mobility mass spectrometry (IM-MS) for structural biology: insights gained by measuring mass, charge, and collision cross section
10.1021/acs.chemrev.2c00600 · 2023 · External reference
Allosteric binding sites on cell-surface receptors: novel targets for drug discovery
10.1038/nrd746 · 2002 · External reference
Disease progression modeling: key concepts and recent developments
10.1007/s40495-016-0066-x · 2016 · External reference
Biophysical techniques in structural biology
10.1146/annurev-biochem-013118-111947 · 2019 · External reference
Biomolecular simulation: a computational microscope for molecular biology
10.1146/annurev-biophys-042910-155245 · 2012 · External reference
Cryogenic electron microscopy and single-particle analysis
10.1146/annurev-biochem-060614-034226 · 2015 · External reference
Epigenetics in pancreatic ductal adenocarcinoma: impact on biology and utilization in diagnostics and treatment
10.3390/cancers14235926 · 2022 · External reference
NMR as a “gold standard” method in drug design and discovery
10.3390/molecules25204597 · 2020 · External reference
Fragment-based drug discovery: advancing fragments in the absence of crystal structures
10.1016/j.chembiol.2018.10.001 · 2019 · External reference
Structure of sickled erythrocytes and of sickle-cell hemoglobin fibers
10.1073/pnas.70.3.718 · 1973 · External reference
Allosteric antibodies: a novel paradigm in drug discovery
10.1016/j.tips.2024.10.007 · 2025 · External reference
Progress in spatial resolution of structural analysis by cryo-EM
10.1093/jmicro/dfac053 · 2023 · External reference
IDPs in macromolecular complexes: the roles of multivalent interactions in diverse assemblies
10.1016/j.sbi.2017.12.007 · 2018 · External reference
Unresolved reference
2024 · External reference
Serial crystallography on in vivo grown microcrystals using synchrotron radiation
10.1107/s2052252513033939 · 2014 · External reference
10.1007/978-3-319-14394-1_4
10.1007/978-3-319-14394-1_4 · External reference
Overview on the current status of virtual high-throughput screening and combinatorial chemistry approaches in multi-target anticancer drug discovery; Part I. Zerbinis Publications
2016 · External reference
Preparing better samples for cryo-electron microscopy: biochemical challenges do not end with isolation and purification
10.1146/annurev-biochem-072020-020231 · 2021 · External reference
Biostructural science inspired by next-generation x-ray sources
10.1146/annurev-biophys-060414-033813 · 2015 · External reference
Allosteric drugs and mutations: chances, challenges, and necessity
10.1016/j.sbi.2020.01.010 · 2020 · External reference
Protein structure-based in-silico approaches to drug discovery: guide to COVID-19 therapeutics
10.1016/j.mam.2022.101151 · 2023 · External reference
Unresolved reference
2025 · External reference
Structural virology: the key determinants in development of antiviral therapeutics
10.3390/v17030417 · 2025 · External reference
Native mass spectrometry: a bridge between interactomics and structural biology
10.1038/nmeth.1265 · 2008 · External reference
Structural biology in drug discovery and development: call for papers
10.1021/acs.jmedchem.4c01492 · 2024 · External reference
Solid-state NMR of virus membrane proteins
10.1021/acs.accounts.4c00800 · 2025 · External reference
The importance of hydration thermodynamics in fragment-to-lead optimization
10.1002/cmdc.201402207 · 2014 · External reference
Should we use clinical tools to identify disease progression?
10.3389/fneur.2020.628542 · 2021 · External reference
Placebo effect in subjects with cognitive impairment
10.1016/bs.irn.2020.03.032 · 2020 · External reference
A multiscale coarse-graining method for biomolecular systems
10.1021/jp044629q · 2005 · External reference
The role of molecular docking in drug discovery: current approaches and innovations
10.70604/ijzels.v2i2.55 · 2025 · External reference
A bright future for serial femtosecond crystallography with XFELs
10.1016/j.tibs.2017.06.007 · 2017 · External reference
Efficient drug lead discovery and optimization
10.1021/ar800236t · 2009 · External reference
AI-driven innovations in Alzheimer's disease: integrating early diagnosis, personalized treatment, and prognostic modelling
10.1016/j.arr.2024.102497 · 2024 · External reference
Targeting programmed death ligand 1 for anticancer therapy using computational drug repurposing and molecular simulations
2025 · External reference
Structure-guided screening identified bioactive phytoconstituents Hernandonine and Anolobine as potential inhibitors of dual specificity protein kinase CLK1
2025 · External reference
Nature's toolbox against tau aggregation: an updated review of current research
10.1016/j.arr.2023.101924 · 2023 · External reference
Emerging technologies in cryo-electron tomography
10.1201/9781003326106-37 · 2024 · External reference
Crystal structure of the human T cell receptor CD3εγ heterodimer complexed to the therapeutic mAb OKT3
10.1073/pnas.0402295101 · 2004 · External reference
In the beginning, there was serendipity
2025 · External reference
Mass spectrometry methods for studying structure and dynamics of biological macromolecules
10.1021/ac4039306 · 2014 · External reference
Protein dynamics and function from solution state NMR spectroscopy
10.1017/s0033583516000019 · 2016 · External reference
A comprehensive review on molecular docking in drug discovery
2025 · External reference
Unresolved reference
2019 · External reference
Outcomes of the EMDataResource cryo-EM ligand modeling challenge
10.1038/s41592-024-02321-7 · 2024 · External reference
Chemical ligands, genomics and drug discovery
10.1016/s1359-6446(00)01468-9 · 2000 · External reference
Integration of artificial intelligence in molecular docking and virtual screening methods
2026 · External reference
PROTACs: past, present and future
10.1039/d2cs00193d · 2022 · External reference
Insight into the mechanism of allosteric activation of PI3Kα by oncoprotein K-Ras4B
10.1016/j.ijbiomac.2019.12.020 · 2020 · External reference
Cryo-EM structures of Smc5/6 in multiple states reveal its assembly and functional mechanisms
10.1038/s41594-024-01319-1 · 2024 · External reference
Ribosome-targeting antibiotics: modes of action, mechanisms of resistance, and implications for drug design
10.1146/annurev-biochem-062917-011942 · 2018 · External reference
Evolutionary-scale prediction of atomic-level protein structure with a language model
10.1126/science.ade2574 · 2023 · External reference
XFEL data analysis for structural biology
10.1007/s40484-016-0076-z · 2016 · External reference
Discovery of hidden allosteric sites as novel targets for allosteric drug design
10.1016/j.drudis.2017.10.001 · 2018 · External reference
Allosteric methods and their applications: facilitating the discovery of allosteric drugs and the investigation of allosteric mechanisms
10.1021/acs.accounts.8b00570 · 2019 · External reference
In-cell NMR: recent progresses and future challenges
10.1007/s12210-023-01168-y · 2023 · External reference
Structure-guided, target-based drug discovery – exploiting genome information from HIV to mycobacterial infections
10.18388/pb.2016_25 · 2016 · External reference
Structure and dynamics of membrane proteins from solid-state NMR
10.1146/annurev-biophys-070816-033712 · 2018 · External reference
Serial femtosecond crystallography: a revolution in structural biology
10.1016/j.abb.2016.03.036 · 2016 · External reference
Correlated 3D light and electron microscopy: use of high voltage electron microscopy and electron tomography for imaging large biological structures
10.1179/his.2000.23.3.261 · 2000 · External reference
Advances in the molecular dynamics flexible fitting method for cryo-EM modeling
10.1016/j.ymeth.2016.01.009 · 2016 · External reference
3DligandSite: structure-based prediction of protein-ligand binding sites
10.1093/nar/gkac250 · 2022 · External reference
Mimotopes: realization of an unlikely concept
10.1002/1099-1352(200011/12)13:6<352::aid-jmr509>3.0.co;2-c · 2000 · External reference
The role of peptide microarrays in biomedical research
10.1039/c8ay01442f · 2018 · External reference
The first 3500 years of aspirin history from its roots – A concise summary
10.1016/j.vph.2018.10.008 · 2019 · External reference
Molecular docking: principles, advances, and its applications in drug discovery
10.2174/1570180819666220922103109 · 2024 · External reference
The use of X-ray crystallography in the analysis of a variety of protein-lipid complexes
2024 · External reference
When small becomes too big: expanding the use of in-cell solid-state NMR spectroscopy
10.1002/cplu.202000167 · 2020 · External reference
Ultrafast magic angle spinning solid-state nmr spectroscopy: advances in methodology and applications
10.1021/acs.chemrev.2c00197 · 2023 · External reference
Bridging biophysics and neurology: aberrant phase transitions in neurodegenerative disease
10.1038/s41582-019-0157-5 · 2019 · External reference
AI-driven drug discovery: transforming neurological and neurodegenerative disease treatment through bioinformatics and genomic research
10.69980/ajpr.v28i1.71 · 2025 · External reference
Bridging structural and cell biology with cryo-electron microscopy
10.1038/s41586-024-07198-2 · 2024 · External reference
Design, synthesis, and molecular docking studies of novel pomalidomide-based PROTACs as potential anti-cancer agents targeting EGFR WT and EGFR T790M
10.1080/14756366.2022.2062338 · 2022 · External reference
The integrative role of cryo electron microscopy in molecular and cellular structural biology
10.1111/boc.201600042 · 2017 · External reference
Software for molecular docking: a review
10.1007/s12551-016-0247-1 · 2017 · External reference
Epitopes and mimotopes identification using phage display for vaccine development against infectious pathogens
10.3390/vaccines11071176 · 2023 · External reference
Binding affinity via docking: fact and fiction
10.3390/molecules23081899 · 2018 · External reference
The future of medicine: AI and ML driven drug discovery advancements
10.2174/0115680266346722250401191232 · 2025 · External reference
Unresolved reference
2023 · External reference
A guide to time-resolved structural analysis of light-activated proteins
10.1111/febs.15880 · 2022 · External reference
FUS and TDP-43 phases in health and disease
10.1016/j.tibs.2020.12.005 · 2021 · External reference
Advancing cryo-EM and cryo-ET through innovation in sample carriers: a perspective
10.1021/acs.analchem.5c01534 · 2025 · External reference
Computational approaches streamlining drug discovery
10.1038/s41586-023-05905-z · 2023 · External reference
Disease progression model in subjects with mild cognitive impairment from the Alzheimer's disease neuroimaging initiative: CSF biomarkers predict population subtypes
10.1111/j.1365-2125.2012.04308.x · 2013 · External reference
Unresolved reference
2021 · External reference
Biological function investigated by time-resolved structure determination
10.1063/4.0000177 · 2023 · External reference
Computational insight into the binding of bryostatin 1 with ferritin: implication of natural compounds in Alzheimer’s disease therapeutics
10.1080/07391102.2022.2092552 · 2023 · External reference
Mechanistic insight into binding of huperzine a with human serum albumin: computational and spectroscopic approaches
10.3390/molecules27030797 · 2022 · External reference
Structure-based drug-development study against fibroblast growth factor receptor 2: molecular docking and Molecular dynamics simulation approaches
2024 · External reference
Multiscale methods for macromolecular simulations
10.1016/j.sbi.2008.07.003 · 2008 · External reference
Chemical space overlap with critical protein–protein interface residues in commercial and specialized small-molecule libraries
10.1002/cmdc.201800537 · 2019 · External reference
Targeting tau in Alzheimer’s and beyond: insights into pathology and therapeutic strategies
10.1016/j.arr.2024.102639 · 2025 · External reference
Bioinformatics models in drug delivery: predicting biomaterial-biological interactions for targeted therapies
10.1016/j.nxnano.2025.100335 · 2026 · External reference
Multilayer optics for synchrotron applications
10.1002/admt.202302187 · 2024 · External reference
Statistical models for longitudinal biomarkers of disease onset
10.1002/(sici)1097-0258(20000229)19:4<617::aid-sim360>3.0.co;2-r · 2000 · External reference
Binding affinity determination in drug design: insights from lock and key, induced fit, conformational selection, and inhibitor trapping models
10.3390/ijms25137124 · 2024 · External reference
Graphene-based microfluidics for serial crystallography
10.1039/c6lc00451b · 2016 · External reference
Structural biology and drug discovery of difficult targets: the limits of ligandability
10.1016/j.chembiol.2011.12.013 · 2012 · External reference
High-resolution native mass spectrometry
10.1021/acs.chemrev.1c00212 · 2022 · External reference
Photon beam transport and scientific instruments at the European XFEL
10.3390/app7060592 · 2017 · External reference
Highly accurate protein structure prediction for the human proteome
10.1038/s41586-021-03828-1 · 2021 · External reference
Solid-state NMR studies of amyloid fibril structure
10.1146/annurev-physchem-032210-103539 · 2011 · External reference
van der Wel, New applications of solid-state NMR in structural biology
10.1042/etls20170088 · 2018 · External reference
The roles of intrinsically disordered proteins in neurodegeneration
10.1016/j.bbagen.2025.130772 · 2025 · External reference
Integrative, dynamic structural biology at atomic resolution - It's about time
10.1038/nmeth.3324 · 2015 · External reference
Advances and opportunities in ultrafast X-ray crystallography and ultrafast structural optical crystallography of nuclear and electronic protein dynamics
10.1063/1.5110685 · 2019 · External reference
The mechanism of action of aspirin
10.1016/s0049-3848(03)00379-7 · 2003 · External reference
CADD, AI and ML in drug discovery: a comprehensive review
10.1016/j.ejps.2022.106324 · 2023 · External reference
A review of disease progression models of Parkinson's disease and applications in clinical trials
10.1002/mds.26644 · 2016 · External reference
Discovery and optimization of lead molecules in drug designing
2021 · External reference
Prediction of protein–ligand binding affinity via deep learning models
10.1093/bib/bbae081 · 2024 · External reference
10.1145/2623330.2623754
10.1145/2623330.2623754 · External reference
Identification of a universal antigen epitope of influenza A virus using peptide microarray
10.1186/s12917-020-02725-5 · 2021 · External reference
A fully differentiable ligand pose optimization framework guided by deep learning and a traditional scoring function
10.1093/bib/bbac520 · 2023 · External reference
Map/microtubule affinity regulating kinase 4 inhibitory potential of irisin: a new therapeutic strategy to combat cancer and alzheimer’s disease
10.3390/ijms222010986 · 2021 · External reference
Understanding the invisible hands of sample preparation for cryo-EM
10.1038/s41592-021-01130-6 · 2021 · External reference
Functions of intrinsically disordered regions
10.3390/biology14070810 · 2025 · External reference
Bringing structure to cell biology with cryo-electron tomography
10.1146/annurev-biophys-111622-091327 · 2023 · External reference
Recent progress and future challenges in structure-based protein-protein interaction prediction
10.1016/j.ymthe.2025.04.003 · 2025 · External reference
Artificial intelligence in drug development
10.1038/s41591-024-03434-4 · 2025 · External reference
Current limitations of solid-state NMR in carbohydrate and cell wall research
10.1016/j.jmr.2022.107263 · 2022 · External reference
X-ray crystallography over the past decade for novel drug discovery -where are we heading next?
10.1517/17460441.2015.1061991 · 2015 · External reference
Statistical models for longitudinal biomarkers of disease onset
10.1002/(sici)1097-0258(20000229)19:4<617::aid-sim360>3.0.co;2-r · ExternalCitation · doi-reference
Mimotopes: realization of an unlikely concept
10.1002/1099-1352(200011/12)13:6<352::aid-jmr509>3.0.co;2-c · ExternalCitation · doi-reference
Multilayer optics for synchrotron applications
10.1002/admt.202302187 · ExternalCitation · doi-reference
Natural products against tau hyperphosphorylation-induced aggregates: potential therapies for Alzheimer's disease
10.1002/ardp.202400721 · ExternalCitation · doi-reference
The importance of hydration thermodynamics in fragment-to-lead optimization
10.1002/cmdc.201402207 · ExternalCitation · doi-reference
Chemical space overlap with critical protein–protein interface residues in commercial and specialized small-molecule libraries
10.1002/cmdc.201800537 · ExternalCitation · doi-reference
When small becomes too big: expanding the use of in-cell solid-state NMR spectroscopy
10.1002/cplu.202000167 · ExternalCitation · doi-reference
A review of disease progression models of Parkinson's disease and applications in clinical trials
10.1002/mds.26644 · ExternalCitation · doi-reference
Protein aggregation and neurodegenerative disease: structural outlook for the novel therapeutics
10.1002/prot.26561 · ExternalCitation · doi-reference
10.1007/978-1-60761-244-5_3
10.1007/978-1-60761-244-5_3 · ExternalCitation · doi-reference
10.1007/978-3-319-14394-1_4
10.1007/978-3-319-14394-1_4 · ExternalCitation · doi-reference
In-cell NMR: recent progresses and future challenges
10.1007/s12210-023-01168-y · ExternalCitation · doi-reference
Software for molecular docking: a review
10.1007/s12551-016-0247-1 · ExternalCitation · doi-reference
Revealing Higher order protein structure using mass spectrometry
10.1007/s13361-016-1385-1 · ExternalCitation · doi-reference
XFEL data analysis for structural biology
10.1007/s40484-016-0076-z · ExternalCitation · doi-reference
Disease progression modeling: key concepts and recent developments
10.1007/s40495-016-0066-x · ExternalCitation · doi-reference
A possible three-dimensional structure of bovine α-lactalbumin based on that of hen's egg-white lysozyme
10.1016/0022-2836(69)90487-2 · ExternalCitation · doi-reference
Placebo effect in subjects with cognitive impairment
10.1016/bs.irn.2020.03.032 · ExternalCitation · doi-reference
Serial femtosecond crystallography: a revolution in structural biology
10.1016/j.abb.2016.03.036 · ExternalCitation · doi-reference
Nature's toolbox against tau aggregation: an updated review of current research
10.1016/j.arr.2023.101924 · ExternalCitation · doi-reference
AI-driven innovations in Alzheimer's disease: integrating early diagnosis, personalized treatment, and prognostic modelling
10.1016/j.arr.2024.102497 · ExternalCitation · doi-reference
Targeting tau in Alzheimer’s and beyond: insights into pathology and therapeutic strategies
10.1016/j.arr.2024.102639 · ExternalCitation · doi-reference
The roles of intrinsically disordered proteins in neurodegeneration
10.1016/j.bbagen.2025.130772 · ExternalCitation · doi-reference
Structural biology and drug discovery of difficult targets: the limits of ligandability
10.1016/j.chembiol.2011.12.013 · ExternalCitation · doi-reference
Fragment-based drug discovery: advancing fragments in the absence of crystal structures
10.1016/j.chembiol.2018.10.001 · ExternalCitation · doi-reference
The concept of allosteric modulation: an overview
10.1016/j.ddtec.2012.07.007 · ExternalCitation · doi-reference
Discovery of hidden allosteric sites as novel targets for allosteric drug design
10.1016/j.drudis.2017.10.001 · ExternalCitation · doi-reference
CADD, AI and ML in drug discovery: a comprehensive review
10.1016/j.ejps.2022.106324 · ExternalCitation · doi-reference
Insight into the mechanism of allosteric activation of PI3Kα by oncoprotein K-Ras4B
10.1016/j.ijbiomac.2019.12.020 · ExternalCitation · doi-reference
Current limitations of solid-state NMR in carbohydrate and cell wall research
10.1016/j.jmr.2022.107263 · ExternalCitation · doi-reference
Protein structure-based in-silico approaches to drug discovery: guide to COVID-19 therapeutics
10.1016/j.mam.2022.101151 · ExternalCitation · doi-reference
Probing the interaction of memantine, an important Alzheimer's drug, with human serum albumin: in silico and in vitro approach
10.1016/j.molliq.2021.116888 · ExternalCitation · doi-reference
Bioinformatics models in drug delivery: predicting biomaterial-biological interactions for targeted therapies
10.1016/j.nxnano.2025.100335 · ExternalCitation · doi-reference
Multiscale modeling of biomolecular systems: in serial and in parallel
10.1016/j.sbi.2007.03.004 · ExternalCitation · doi-reference
Multiscale methods for macromolecular simulations
10.1016/j.sbi.2008.07.003 · ExternalCitation · doi-reference
Systematic multiscale simulation of membrane protein systems
10.1016/j.sbi.2009.03.001 · ExternalCitation · doi-reference
IDPs in macromolecular complexes: the roles of multivalent interactions in diverse assemblies
10.1016/j.sbi.2017.12.007 · ExternalCitation · doi-reference
Allosteric drugs and mutations: chances, challenges, and necessity
10.1016/j.sbi.2020.01.010 · ExternalCitation · doi-reference
A bright future for serial femtosecond crystallography with XFELs
10.1016/j.tibs.2017.06.007 · ExternalCitation · doi-reference
FUS and TDP-43 phases in health and disease
10.1016/j.tibs.2020.12.005 · ExternalCitation · doi-reference
Allosteric antibodies: a novel paradigm in drug discovery
10.1016/j.tips.2024.10.007 · ExternalCitation · doi-reference
The first 3500 years of aspirin history from its roots – A concise summary
10.1016/j.vph.2018.10.008 · ExternalCitation · doi-reference
Advances in the molecular dynamics flexible fitting method for cryo-EM modeling
10.1016/j.ymeth.2016.01.009 · ExternalCitation · doi-reference
Recent progress and future challenges in structure-based protein-protein interaction prediction
10.1016/j.ymthe.2025.04.003 · ExternalCitation · doi-reference
The mechanism of action of aspirin
10.1016/s0049-3848(03)00379-7 · ExternalCitation · doi-reference
Chemical ligands, genomics and drug discovery
10.1016/s1359-6446(00)01468-9 · ExternalCitation · doi-reference
Protein dynamics and function from solution state NMR spectroscopy
10.1017/s0033583516000019 · ExternalCitation · doi-reference
Mass spectrometry methods for studying structure and dynamics of biological macromolecules
10.1021/ac4039306 · ExternalCitation · doi-reference
Solid-state NMR of virus membrane proteins
10.1021/acs.accounts.4c00800 · ExternalCitation · doi-reference
Allosteric methods and their applications: facilitating the discovery of allosteric drugs and the investigation of allosteric mechanisms
10.1021/acs.accounts.8b00570 · ExternalCitation · doi-reference
Advancing cryo-EM and cryo-ET through innovation in sample carriers: a perspective
10.1021/acs.analchem.5c01534 · ExternalCitation · doi-reference
High-resolution native mass spectrometry
10.1021/acs.chemrev.1c00212 · ExternalCitation · doi-reference
Conformational dynamics of intrinsically disordered proteins regulate biomolecular condensate chemistry
10.1021/acs.chemrev.1c00774 · ExternalCitation · doi-reference
Ultrafast magic angle spinning solid-state nmr spectroscopy: advances in methodology and applications
10.1021/acs.chemrev.2c00197 · ExternalCitation · doi-reference
Ion mobility mass spectrometry (IM-MS) for structural biology: insights gained by measuring mass, charge, and collision cross section
10.1021/acs.chemrev.2c00600 · ExternalCitation · doi-reference
Structural biology in drug discovery and development: call for papers
10.1021/acs.jmedchem.4c01492 · ExternalCitation · doi-reference
Biophysical elucidation of fibrillation inhibition by sugar osmolytes in α-lactalbumin: multispectroscopic and molecular docking approaches
10.1021/acsomega.0c04062 · ExternalCitation · doi-reference
Efficient drug lead discovery and optimization
10.1021/ar800236t · ExternalCitation · doi-reference
Role of the active-site solvent in the thermodynamics of factor Xa ligand binding
10.1021/ja0771033 · ExternalCitation · doi-reference
Fragment-to-hit-to-lead discovery of a novel pyridylurea scaffold of ATP competitive dual targeting type II topoisomerase inhibiting antibacterial agents
10.1021/jm401208b · ExternalCitation · doi-reference
A multiscale coarse-graining method for biomolecular systems
10.1021/jp044629q · ExternalCitation · doi-reference
Structure-based maximal affinity model predicts small-molecule druggability
10.1038/nbt1273 · ExternalCitation · doi-reference
Native mass spectrometry: a bridge between interactomics and structural biology
10.1038/nmeth.1265 · ExternalCitation · doi-reference
Integrative, dynamic structural biology at atomic resolution - It's about time
10.1038/nmeth.3324 · ExternalCitation · doi-reference
Allosteric binding sites on cell-surface receptors: novel targets for drug discovery
10.1038/nrd746 · ExternalCitation · doi-reference
Bridging biophysics and neurology: aberrant phase transitions in neurodegenerative disease
10.1038/s41582-019-0157-5 · ExternalCitation · doi-reference
Highly accurate protein structure prediction for the human proteome
10.1038/s41586-021-03828-1 · ExternalCitation · doi-reference
Computational approaches streamlining drug discovery
10.1038/s41586-023-05905-z · ExternalCitation · doi-reference
Bridging structural and cell biology with cryo-electron microscopy
10.1038/s41586-024-07198-2 · ExternalCitation · doi-reference
Artificial intelligence in drug development
10.1038/s41591-024-03434-4 · ExternalCitation · doi-reference
Understanding the invisible hands of sample preparation for cryo-EM
10.1038/s41592-021-01130-6 · ExternalCitation · doi-reference
Outcomes of the EMDataResource cryo-EM ligand modeling challenge
10.1038/s41592-024-02321-7 · ExternalCitation · doi-reference
Advancing time-resolved structural biology: latest strategies in cryo-EM and X-ray crystallography
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