Iñaki Morao

1.5k citations

35 papers · 1.3k indexed · h-index 18

Co-authors: Fernando P. Cossío Begoña Lecea Haijun Jiao Paul von Ragué Schleyer Ana Arrieta Ian H. Hillier Alexander Heifetz Michael P. Mazanetz
Topics: Computational Drug Discovery Methods (10 papers)Receptor Mechanisms and Signaling (10 papers)Neuropeptides and Animal Physiology (7 papers)
Cited by: Organic Chemistry Computational Theory and Mathematics Physical and Theoretical Chemistry
Journals: Journal of the American Chemical Society Journal of Medicinal Chemistry The Journal of Organic Chemistry
Partner nations: United Kingdom Spain Japan

In The Last Decade

Iñaki Morao

34 papers receiving 1.2k citations

Peers

Countries citing papers authored by Iñaki Morao

Since Specialization

Citations

This map shows the geographic impact of Iñaki Morao's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Iñaki Morao with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Iñaki Morao more than expected).

Fields of papers citing papers by Iñaki Morao

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Iñaki Morao. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Iñaki Morao. The network helps show where Iñaki Morao may publish in the future.

Co-authorship network of co-authors of Iñaki Morao

This figure shows the co-authorship network connecting the top 25 collaborators of Iñaki Morao. A scholar is included among the top collaborators of Iñaki Morao based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Iñaki Morao. Iñaki Morao is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

#	Work	Indexed citations
1	Quantum Mechanics-Based Ranking of Predicted Proteolysis Targeting Chimeras-Mediated Ternary Complexes 2025 ·ACS Medicinal Chemistry Letters ·Stefania Monteleone,Iñaki Morao,Dmitri G. Fedorov,Tahsin F. Kellici	1
2	Alchemical Free Energy Workflows for the Computation of Protein-Ligand Binding Affinities 2023 ·Methods in molecular biology ·(unknown),Tahsin F. Kellici,Iñaki Morao,Julien Michel	1
3	Accurate Scoring in Seconds with the Fragment Molecular Orbital and Density-Functional Tight-Binding Methods 2020 ·Methods in molecular biology ·Iñaki Morao,Alexander Heifetz,Dmitri G. Fedorov	8
4	Analyzing GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method 2020 ·Methods in molecular biology ·Alexander Heifetz,(unknown),Michelle Southey,Iñaki Morao,Dmitri G. Fedorov,Mike J. Bodkin,Andrea Townsend‐Nicholson	0
5	Characterizing Interhelical Interactions of G-Protein Coupled Receptors with the Fragment Molecular Orbital Method 2020 ·Journal of Chemical Theory and Computation ·Alexander Heifetz,Iñaki Morao,M. Madan Babu,(unknown),Michelle Southey,Dmitri G. Fedorov,Matteo Aldeghi,Michael J. Bodkin,Andrea Townsend‐Nicholson	17
6	Characterising GPCR–ligand interactions using a fragment molecular orbital-based approach 2019 ·Current Opinion in Structural Biology ·Alexander Heifetz,(unknown),Michelle Southey,Iñaki Morao,Matteo Aldeghi,(unknown),Dmitri G. Fedorov,Mike J. Bodkin,Andrea Townsend‐Nicholson	14
7	Computational prediction of GPCR oligomerization 2019 ·Current Opinion in Structural Biology ·Andrea Townsend‐Nicholson,Nojood Altwaijry,(unknown),Iñaki Morao,Alexander Heifetz	12
8	Computational Methods Used in Hit-to-Lead and Lead Optimization Stages of Structure-Based Drug Discovery 2017 ·Methods in molecular biology ·Alexander Heifetz,Michelle Southey,Iñaki Morao,Andrea Townsend‐Nicholson,Mike J. Bodkin	21
9	Exploring GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method 2017 ·Methods in molecular biology ·Ewa I. Chudyk,(unknown),Matteo Aldeghi,Dmitri G. Fedorov,Mike J. Bodkin,(unknown),Michelle Southey,(unknown),Iñaki Morao,Alexander Heifetz	14
10	Rapid and accurate assessment of GPCR–ligand interactions Using the fragment molecular orbital‐based density‐functional tight‐binding method 2017 ·Journal of Computational Chemistry ·Iñaki Morao,Dmitri G. Fedorov,(unknown),Michelle Southey,Andrea Townsend‐Nicholson,Mike J. Bodkin,Alexander Heifetz	44
11	Guiding lead optimization with GPCR structure modeling and molecular dynamics 2016 ·Current Opinion in Pharmacology ·Alexander Heifetz,(unknown),Iñaki Morao,Michael J. Bodkin,Philip C. Biggin	25
12	The Discovery of a Potent, Selective, and Peripherally Restricted Pan-Trk Inhibitor (PF-06273340) for the Treatment of Pain 2016 ·Journal of Medicinal Chemistry ·S. Skerratt,Mark D. Andrews,Sharan K. Bagal,James Bilsland,David Brown,Peter J. Bungay,Susan Cole,Karl R. Gibson,Russell M. Jones,Iñaki Morao,Angus Nedderman,Kiyoyuki Omoto,(unknown),Thomas Ryckmans,(unknown),Paul A. Stupple,Gareth Waldron	58
13	Drug Discovery Applications for KNIME: An Open Source Data Mining Platform 2012 ·Current Topics in Medicinal Chemistry ·Michael P. Mazanetz,(unknown),(unknown),Iñaki Morao	80
14	Lead diversification. Application to existing drug molecules: Mifepristone 1 and antalarmin 8 2011 ·Bioorganic & Medicinal Chemistry Letters ·(unknown),Elizabeth Farrant,Iñaki Morao,(unknown),Manuel Pérez,Mark E. Bunnage,(unknown),Torren M. Peakman	15
15	A High‐Throughput Methodology for Screening Solution‐Based Chelating Agents for Efficient Palladium Removal 2007 ·QSAR & Combinatorial Science ·(unknown),(unknown),Shu Yu,Paul Higginson,Neal W. Sach,Iñaki Morao	13
16	Theoretical Prediction of the Enantiomeric Excess in Asymmetric Catalysis. An Alignment-Independent Molecular Interaction Field Based Approach 2005 ·The Journal of Organic Chemistry ·Simone Sciabola,Alexander Alex,Paul Higginson,John C. Mitchell,Martin J. Snowden,Iñaki Morao	28
17	Carbonyl-Ene Reactions Catalyzed by Bis(oxazoline) Copper (II) Complexes Proceed by a Facile Stepwise Mechanism: DFT and ONIOM (DFT:PM3) Studies 2002 ·Journal of the American Chemical Society ·Iñaki Morao,Jonathan P. McNamara,Ian H. Hillier	34
18	In-Plane Aromaticity in 1,3-Dipolar Cycloadditions. Solvent Effects, Selectivity, and Nucleus-Independent Chemical Shifts 1999 ·Journal of the American Chemical Society ·Fernando P. Cossío,Iñaki Morao,Haijun Jiao,Paul von Ragué Schleyer	213
19	Structural and Solvent Effects on the Mechanism of the Thermal Decarboxylation of 2-Oxetanones. A Limiting Case between Concerted and Stepwise Pathways in Pericyclic Reactions 1997 ·Journal of the American Chemical Society ·Iñaki Morao,Begoña Lecea,Ana Arrieta,Fernando P. Cossío	28
20	Stereoselective conjugate addition of carbon nucleophiles to chiral (E)-nitroalkenes bearing a γ-stereocenter. Origins of the observed anti selectivity 1996 ·Tetrahedron Letters ·(unknown),Iñaki Morao,Ana Arrieta,Anthony Linden,Fernando P. Cossío	17

About Iñaki Morao

Iñaki Morao is a scholar working on Computational Theory and Mathematics, Organic Chemistry and Filtration and Separation, having authored 35 papers that have together received 1.3k indexed citations. Recurring topics across this work include Computational Drug Discovery Methods (10 papers), Receptor Mechanisms and Signaling (10 papers) and Neuropeptides and Animal Physiology (7 papers). The work is most often cited by research in Organic Chemistry (768 citations), Computational Theory and Mathematics (196 citations) and Physical and Theoretical Chemistry (106 citations). Iñaki Morao has collaborated with scholars based in United Kingdom, Spain and Japan. Frequent co-authors include Fernando P. Cossío, Begoña Lecea, Haijun Jiao, Paul von Ragué Schleyer, Ana Arrieta, Ian H. Hillier, Alexander Heifetz, Michael P. Mazanetz, Anthony Linden and Andrea Townsend‐Nicholson. Their work appears in journals such as Journal of the American Chemical Society, Journal of Medicinal Chemistry and The Journal of Organic Chemistry.

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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