Mary Jo Ondrechen
#50,215
Most Influential Person Now
Chemist, Educator
Mary Jo Ondrechen's AcademicInfluence.com Rankings
Download Badge
Chemistry
Mary Jo Ondrechen's Degrees
- PhD Chemistry University of California, Berkeley
- Bachelors Chemistry University of California, Berkeley
Why Is Mary Jo Ondrechen Influential?
(Suggest an Edit or Addition)According to Wikipedia, Mary Jo Ondrechen is an American chemist, educator, researcher, community leader and activist. She serves as Professor of Chemistry and Chemical Biology and Principal Investigator of the Computational Biology Research Group at Northeastern University in Boston, Massachusetts.
Mary Jo Ondrechen's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Thermodynamics for Processes in Finite Time (1984) (281)
- THEMATICS: A simple computational predictor of enzyme function from structure (2001) (239)
- The Intrinsic Anodic Stability of Several Anions Comprising Solvent‐Free Ionic Liquids (1996) (181)
- Model Calculations of Potential Surfaces of van der Waals Complexes Containing Large Aromatic Molecules (1981) (161)
- The generalized Carnot cycle: A working fluid operating in finite time between finite heat sources and sinks (1983) (109)
- Maximum work from a finite reservoir by sequential Carnot cycles (1981) (98)
- Energetics and dynamics of large Van der Waals molecules (1982) (80)
- Biochemical functional predictions for protein structures of unknown or uncertain function (2015) (76)
- Partial Order Optimum Likelihood (POOL): Maximum Likelihood Prediction of Protein Active Site Residues Using 3D Structure and Sequence Properties (2009) (68)
- Selective prediction of interaction sites in protein structures with THEMATICS (2007) (66)
- Identification of Functional Subclasses in the DJ-1 Superfamily Proteins (2007) (66)
- Statistical criteria for the identification of protein active sites using theoretical microscopic titration curves (2005) (60)
- Electronic structure of the Creutz-Taube ion (1987) (60)
- A model for the optical absorption spectrum of (.mu.-pyrazine) decaamminediruthenium(5+): What hath Creutz and Taube wrought? (1987) (57)
- Pharmacological validation of Trypanosoma brucei phosphodiesterases B1 and B2 as druggable targets for African sleeping sickness. (2011) (50)
- pH-dependent interdomain tethers of CD1b regulate its antigen capture. (2008) (48)
- High-performance prediction of functional residues in proteins with machine learning and computed input features. (2011) (46)
- Evidence of the participation of remote residues in the catalytic activity of Co-type nitrile hydratase from Pseudomonas putida. (2011) (45)
- The human Aurora kinase inhibitor danusertib is a lead compound for anti-trypanosomal drug discovery via target repurposing. (2013) (45)
- Prediction of active sites for protein structures from computed chemical properties (2005) (41)
- Identification of residues in DmsD for twin-arginine leader peptide binding, defined through random and bioinformatics-directed mutagenesis. (2008) (36)
- Thermodynamics in finite time: A chemically driven engine (1980) (35)
- A tale of two isomerases: compact versus extended active sites in ketosteroid isomerase and phosphoglucose isomerase. (2011) (34)
- In Vitro and in Vivo Evaluation of 11C-Labeled Azetidinecarboxylates for Imaging Monoacylglycerol Lipase by PET Imaging Studies. (2018) (34)
- Thermodynamics in finite time: Processes with temperature‐dependent chemical reactions (1980) (34)
- POOL server: machine learning application for functional site prediction in proteins (2012) (33)
- Line shape of the intervalence transfer band in bridged mixed-valence dimers: the delocalized case (1985) (30)
- Protein structure to function: insights from computation (2004) (30)
- Future directions in protein function prediction (2002) (30)
- A model for enzyme-substrate interaction in alanine racemase. (2001) (26)
- ROLE OF VIBRONIC COUPLING AND CORRELATION EFFECTS ON THE OPTICAL PROPERTIES OF MIXED-VALENT AND MONOVALENT DIMER COMPOUNDS : THE CREUTZ-TAUBE ION AND ITS MONOVALENT ANALOGS (1995) (26)
- Adiabatic potentials for a bridged three-site electron-transfer system (1982) (25)
- Prediction of distal residue participation in enzyme catalysis (2015) (22)
- Hexaammineruthenium(II,III) and pentaamminedinitrogenruthenium(II). A Hartree-Fock-Slater study (1981) (21)
- Functional classification of protein 3D structures from predicted local interaction sites. (2010) (21)
- Effects of non‐catalytic, distal amino acid residues on activity of E. coli DinB (DNA polymerase IV) (2012) (20)
- An analysis of the absorption and fluorescence spectra of trimethylamine. Determination of the ~A-~X origin and the ground state inversion barrier (1986) (20)
- Nonadiabatic quantum mechanical treatment of the absorption line shape of bridged mixed-valence dimers (1989) (19)
- Two-dimensional potential surfaces for bridged mixed-valence dimers (1984) (18)
- Intramolecular electron transfer: Simple theory of purely electronic effects (1976) (18)
- A model for the intervalence transfer band profile of bridged mixed-valence dimers (1984) (17)
- Protein function annotation with Structurally Aligned Local Sites of Activity (SALSAs) (2013) (17)
- The electronic structure of the creutz-taube ion: A hartree-fock-slater study (1984) (16)
- Active Site Prediction for Comparative Model Structures with Thematics (2005) (15)
- Tri-arginine exosite patch of caspase-6 recruits substrates for hydrolysis (2018) (14)
- A treatment of vibrational relaxation without the rotating wave approximation (1976) (13)
- Prediction of interaction sites from apo 3D structures when the holo conformation is different (2008) (13)
- Intramolecular electron transfer in simple model systems: A propagator study (1977) (13)
- Design and evaluation of xanthine based adenosine receptor antagonists: potential hypoxia targeted immunotherapies. (2013) (12)
- An electronic mechanism for electron pairing in antiferromagnetic bridged mixed‐valence systems (1992) (12)
- The electronic structure of pentaammine(pyrazine) ruthenium(II) and (III): the metal-ligand π conjugation and its implications in electron delocalization (1994) (12)
- Prediction of Active Site and Distal Residues in E. coli DNA Polymerase III alpha Polymerase Activity. (2018) (11)
- Theory of Electroabsorption Spectroscopy in Pyrazine-Bridged Ru Dimers (1999) (9)
- Physicochemical Methods for Prediction of Functional Information for Proteins (2004) (9)
- Fluorinated Adenosine A2A Receptor Antagonists Inspired by Preladenant as Potential Cancer Immunotherapeutics (2017) (9)
- Third-order nonlinear optical properties of finite bridged polymers (1993) (8)
- Through-bridge electron transfer: A propagator study of a simple three-site model (1982) (8)
- “How Do We Do This at a Distance?!” A Descriptive Study of Remote Undergraduate Research Programs during COVID-19 (2021) (8)
- Theory of the Stark Effect in protein systems containing an electron donor–acceptor couple (1998) (8)
- Functional classification of protein structures by local structure matching in graph representation (2018) (7)
- Local structure based method for prediction of the biochemical function of proteins: Applications to glycoside hydrolases. (2016) (7)
- Probing remote residues important for catalysis in Escherichia coli ornithine transcarbamoylase (2020) (6)
- Amino acid interactions that facilitate enzyme catalysis. (2021) (6)
- THEMATICS as a Tool for Functional Genomics (2002) (6)
- Comment on the Calculation of Absorption Line Shapes for Mixed-Valence Dimers (1994) (5)
- Electron transfer in fixed-nuclei systems: A comparison of propagator descriptions (1979) (5)
- Design, Synthesis and Characterization of Benzimidazole Derivatives as PET Imaging Ligands for Metabotropic Glutamate Receptor 2 (mGluR2). (2020) (5)
- Computed protonation properties: unique capabilities for protein functional site prediction. (2007) (5)
- A Hubbard model for the second hyperpolarizability in alternating polymers (1998) (5)
- Effect of basis function overlap on intramolecular electron transfer amplitudes: some results for a two-site hubbard model (1977) (4)
- Functional Characterization of Structural Genomics Proteins in the Crotonase Superfamily (2015) (4)
- Creutz-Taube ion: a model for the EPR g tensor which includes the bridging ligand (1986) (4)
- Electron donor-acceptor couples (1995) (4)
- Identifying Functional Sites Based on Prediction of Charged Group Behavior (2004) (3)
- A Model for the Optical Absorption Spectrum of (μ-Pyrazine)decaamminediruthenium(5+): What Hath Creutz and Taube Wrought? (1987) (3)
- THEMATICS is Effective for Active Site Prediction in Comparative Model Structures (2004) (3)
- Numerical Aspects of the Calculation of Second Hyperpolarizabilities Using the Finite Field Method Coupled with a Simple Lanczos Algorithm (2001) (3)
- Design, synthesis, and characterization of [18F]mG2P026 as a high contrast PET imaging ligand for metabotropic glutamate receptor 2 (2021) (3)
- High Conservation of Amino Acids with Anomalous Protonation Behavior (2010) (3)
- Analysis of electrostatic coupling throughout the laboratory evolution of a designed retroaldolase (2021) (3)
- Enzyme active sites: Identification and prediction of function using computational chemistry. (2022) (2)
- Bridged Mixed-Valence Systems: How Polarizable Bridging Ligands Can Lead to Interesting Spectroscopic and Conductive Properties (1989) (2)
- Potential energy surfaces for a mixed-valence dimer in an applied electric field (1995) (2)
- Virtually the same? Evaluating the effectiveness of remote undergraduate research experiences (2022) (2)
- A Practical Synthesis of Glycinamide Ribonucleotide (2018) (2)
- Electrostatic Properties for Protein Functional Site Prediction (2011) (2)
- A hybrid hubbard model for discrete and periodic backbonded complexes (1990) (2)
- Best Practices to Diversify Chemistry Faculty (2021) (2)
- Creutz-Taube ion: a model for the EPR g Tensor which includes the bridging ligand. [((NHâ)âRu(pyz)Ru(NHâ)â)/sup 5 +/] (1986) (1)
- Synthesis and evaluation of 2-halogenated-1,1-bis(4-hydroxyphenyl)-2-(3-hydroxyphenyl)-ethylenes as potential estrogen receptor-targeted radiodiagnostic and radiotherapeutic agents (2015) (1)
- Adapting Undergraduate Research to Remote Work to Increase Engagement. (2021) (1)
- Homology Modeling Inspired Synthesis of 5-HT2A Receptor Inhibitors: A Diazepine Analogue of the Atypical Antipsychotic JL13. (2017) (1)
- American Indian Science and Engineering Society (AISES): Building a Successful Model for Diversity and Inclusion (2014) (1)
- Models for the spectra of bridged mixed‐valence dimers (2009) (1)
- Using the Structurally Aligned Local Sites of Activity (SALSAs) computational method to determine biochemical function of structural genomics proteins (2013) (1)
- Synthesis of benzoylbenzamide derivatives of 17α-E-vinyl estradiol and evaluation as ligands for the estrogen receptor-α ligand binding domain (2019) (1)
- Protein crosslinking as a therapeutic strategy for SOD1-related ALS (2021) (1)
- COMPUTED PROTONATION PROPERTIES: UNIQUE CAPABILITIES FOR PROTEIN FUNCTIONAL SITE PREDICTION (2007) (1)
- Electrostatic fingerprints of catalytically active amino acids in enzymes (2022) (1)
- Synthesis and characterization of 5-(2-fluoro-4-[11C]methoxyphenyl)-2,2-dimethyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide as a PET imaging ligand for metabotropic glutamate receptor 2 (2021) (1)
- Protein function annotation with Structurally Aligned Local Sites of Activity (SALSAs) (2013) (0)
- Theory of the Stark Effect spectral lineshape for a delocalized mixed-valence complex (1998) (0)
- Identification, Characterization and Drug Discovery for Novel Target Sites for SARS‐CoV‐2 Proteins (2021) (0)
- Ornithine Transcarbamylase Has a Spatially Extended Active Site as Predicted (2015) (0)
- Making Functional Predictions Using Local Spatial Arrangements in the Haloacid Dehalogenase Superfamily (2020) (0)
- Effects of Phosphorylation of ERK2 Kinase on the Properties of Active Site Amino Acids (2022) (0)
- Role of Pol κ and DinB distal residues on extension step of TLS (2017) (0)
- Characterizing the Functions of Structural Genomics Proteins through Computed Chemical Properties and Experimental Chemistry (2017) (0)
- Understanding How Distal Residues Play a Role in Parkin Activity (2018) (0)
- Electrostatic Fingerprints of Catalytically Active Amino Acids in Enzymes (2022) (0)
- Distal Residues and Enzyme Activity: Implications for Personalized Medicine (2020) (0)
- Computational prediction and validation of putative ketosteroid isomerase (KSI) structural genomics proteins (2013) (0)
- Successful computational prediction of residues important for function in DNA polymerase III alpha subunit (2012) (0)
- Remote Residues Affect Stability of Ornithine Transcarbamylase (2015) (0)
- Introducing a Practice-Oriented Approach in the Physical Chemistry Instructional Laboratory (1999) (0)
- Successful computational prediction of active site and distal residues essential for function in DNA polymerase III alpha subunit (2013) (0)
- Schedule of Events 12 : 001 : 00 pm Registration , Poster Setup , and Lunch 1 : 002 : 00 pm Welcome and Keynote Address Welcome (2018) (0)
- Functional assignment of Structural Genomics proteins through computed chemical properties, graph representation of active sites, and biochemical validation (2018) (0)
- Electrostatic interactions in natural enzymes: What can we learn for enzyme design? (2018) (0)
- Site Prediction for Computer Aided Functional Annotation of Structural Genomics Proteins (2008) (0)
- Identification and characterization of alternative sites and molecular probes for SARS-CoV-2 target proteins (2022) (0)
- Central Moments Based Statistical Analysis for the Determination of Functional Sites in Proteins with Thematics (2006) (0)
- Crystal Structure of Ketosteroid Isomerase Variant M105A from Pseudomonos putida (2011) (0)
- Electrostatic and Chemical Properties in Natural and Designed Enzymes (2020) (0)
- Drug Sites Prediction and Computational Drug Screening for SARS‐CoV‐2 Proteins (2021) (0)
- Design, Synthesis and Characterization of Benzimidazole Derivatives as PET Imaging Ligands for Metabotropic Glutamate Receptor Subtype 2 (mGluR2) (2021) (0)
- Probing the role of distal residues in DinB and Pol Kappa in the extension step of DNA damage bypass (2018) (0)
- Erratum: Intramolecular electron transfer in simple model systems: A propagator study (The Journal of Chemical Physics (1977) 66 (938) (1977) (0)
- Application of molecular modeling to drug discovery and functional genomics (2012) (0)
- Stereoselective Synthesis of β-Glycinamide Ribonucleotide (2022) (0)
- Analysis of the Absorption and Fluorescence Spectra of Trimethylamine: Determination of the A - X Origin and the Ground-State Inversion Barrier (1986) (0)
- Reintegrating Biology Through the Nexus of Energy, Information, and Matter. (2021) (0)
- Mixed Valency Oligomers: Model Pathways for the Control of Their Properties (1991) (0)
- Thinking Outside the Informatics Box: Computed Chemical Properties for Protein Function Annotation (2019) (0)
- Identification of critical residues in DNA polymerase III alpha through protein engineering (2011) (0)
This paper list is powered by the following services:
Other Resources About Mary Jo Ondrechen
What Schools Are Affiliated With Mary Jo Ondrechen?
Mary Jo Ondrechen is affiliated with the following schools:
