Frank Aldon Momany
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Frank Aldon Momanychemistry Degrees
Chemistry
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Physical Chemistry
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Organic Chemistry
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Chemistry
Why Is Frank Aldon Momany Influential?
(Suggest an Edit or Addition)Frank Aldon Momany'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
- Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids (1975) (1384)
- On the in vitro and in vivo activity of a new synthetic hexapeptide that acts on the pituitary to specifically release growth hormone. (1984) (679)
- Chain reversals in proteins. (1973) (583)
- Validation of the general purpose QUANTA ®3.2/CHARMm® force field (1992) (502)
- Intermolecular potentials from crystal data. III. Determination of empirical potentials and application to the packing configurations and lattice energies in crystals of hydrocarbons, carboxylic acids, amines, and amides (1974) (390)
- Determination of partial atomic charges from ab initio molecular electrostatic potentials. Application to formamide, methanol, and formic acid (1978) (310)
- Folding of polypeptide chains in proteins: a proposed mechanism for folding. (1971) (252)
- Computation of structures of homologous proteins. Alpha-lactalbumin from lysozyme. (1974) (214)
- Design, synthesis, and biological activity of peptides which release growth hormone in vitro. (1981) (209)
- Structure-activity relationships of a synthetic pentapeptide that specifically releases growth hormone in vitro. (1980) (209)
- Conformational energy studies and in vitro and in vivo activity data on growth hormone-releasing peptides. (1984) (191)
- Structural Characterization of α-Zein (2006) (160)
- Importance of correlation-gradient geometry optimization for molecular conformational analyses (1992) (159)
- Energy parameters in polypeptides. V. An empirical hydrogen bond potential function based on molecular orbital calculations. (1972) (136)
- Energy Parameters in Polypeptides. VI. Conformational Energy Analysis of the N‐Acetyl N′‐Methyl Amides of the Twenty Naturally Occurring Amino Acids (1973) (136)
- Energy parameters in polypeptides. II. Semiempirical molecular orbital calculations for model peptides (1970) (121)
- Ab initio studies of molecular geometries. 27. Optimized molecular structures and conformational analysis of N.alpha.-acetyl-N-methylalaninamide and comparison with peptide crystal data and empirical calculations (1983) (121)
- Modeling bacterial UDP-HexNAc: polyprenol-P HexNAc-1-P transferases. (2005) (101)
- B3LYP/6-311++G** study of α- and β-d-glucopyranose and 1,5-anhydro-d-glucitol: 4C1 and 1C4 chairs, 3,OB and B3,O boats, and skew-boat conformations (2004) (98)
- Ab initio computational study of β-cellobiose conformers using B3lYP/6-311++G** (2002) (85)
- Conformational energy studies on N‐methylated analogs of thyrotropin releasing hormone, enkephalin, and luteinizing hormone‐releasing hormone (1980) (82)
- Low-energy structures of two dipeptides and their relationship to bend conformations. (1974) (79)
- Variables determining the growth hormone response of His-D-Trp-Ala-Trp-D-Phe-Lys-NH2 in the rat. (1985) (73)
- Computational studies on carbohydrates: in vacuo studies using a revised AMBER force field, AMB99C, designed for alpha-(1-->4) linkages. (2000) (67)
- Conformational transitions and geometry differences between low‐energy conformers of N‐acetyl‐N′‐methyl alanineamide: An ab initio study at the 4‐21G level with gradient relaxed geometries (1984) (65)
- Computational studies on carbohydrates: I. Density functional ab initio geometry optimization on maltose conformations (2000) (62)
- B3lyp/6-311++G** study of monohydrates of α- and β-D-glucopyranose: hydrogen bonding, stress energies, and effect of hydration on internal coordinates (2004) (60)
- Intermolecular potentials from crystal data. IV. Application of empirical potentials to the packing configurations and lattice energies in crystals of amino acids (1974) (60)
- Conformational energy analysis of the molecule, luteinizing hormone-releasing hormone. 2. Tetrapeptide and decapeptide analogues. (1976) (58)
- On the use of conformationally dependent geometry trends from ab initio dipeptide studies to refine potentials for the empirical force field CHARMM (1990) (58)
- Male-Specific Sesquiterpenes from Phyllotreta and Aphthona Flea Beetles (2001) (58)
- B3LYP/6-311++G** geometry-optimization study of pentahydrates of α- and β-D-glucopyranose (2005) (57)
- Computational studies on carbohydrates: solvation studies on maltose and cyclomaltooligosaccharides (cyclodextrins) using a DFT/ab initio-derived empirical force field, AMB99C. (2000) (56)
- DFT study of α- and β-d-allopyranose at the B3LYP/6-311++G∗∗ level of theory (2006) (52)
- Evaluation of the dipeptide approximation in peptide modeling by ab initio geometry optimizations of oligopeptides (1993) (51)
- Energy parameters in polypeptides. IV. Semiempirical molecular orbital calculations of conformational dependence of energy and partial charge in di- and tripeptides. (1971) (51)
- Investigation of the conformations of four tetrapeptides by nuclear magnetic resonance and circular dichroism spectroscopy, and conformational energy calculations. (1975) (49)
- Conformational analysis of methionine-enkephalin and some analogs. (1977) (49)
- DFT study of α- and β-d-mannopyranose at the B3LYP/6-311++G** level (2005) (49)
- A DFT/ab initio study of hydrogen bonding and conformational preference in model cellobiose analogs using B3LYP/6-311++G**. (2002) (48)
- DFTMD studies of glucose and epimers: anomeric ratios, rotamer populations, and hydration energies. (2010) (47)
- Determination of Intermolecular Potentials from Crystal Data. II. Crystal Packing with Applications to Poly(amino acids) (1971) (41)
- A study on the regulation of growth hormone release from the pituitaries of rats in vitro. (1981) (39)
- Conformational analysis of macromolecules. VI. Helical structures of o-,m-, and p-chlorobenzyl esters of poly-L-aspartic acid (1970) (39)
- THE STRUCTURE OF THIOPHENE IN THE GAS PHASE AS DETERMINED BY ELECTRON DIFFRACTION1 (1963) (39)
- Conformational analysis of the molecule luteinizing hormone-releasing hormone. 3. Analogue inhibitors and antagonists. (1978) (38)
- Energy parameters in polypeptides. 3. Semiempirical molecular orbital calculations for hydrogen-bonded model peptides. (1970) (37)
- Conformational energy calculations of enzyme-substrate interactions. II. Computation of the binding energy for substrates in the active site of -chymotrypsin. (2009) (36)
- Local geometry maps and conformational transitions between low-energy conformers of N-acetyl-N′-methyl glycine amide: An ab initio study at the 4–21g level with gradient relaxed geometries (1985) (35)
- The Structure of 1,2,5-Thiadiazole as Determined by Gas Electron Diffraction (1964) (32)
- Conformational analysis of thyrotropin releasing factor. (1973) (30)
- Conformational energy calculations on enkephalins and enkephalin analogs. Classification of conformations to different configurational types. (2009) (29)
- Molecular dynamics calculations on amylose fragments. I. Glass transition temperatures of maltodecaose at 1, 5, 10, and 15.8% hydration. (2002) (29)
- Rapidly calculated DFT relaxed iso-potential ϕ/ψ maps: β-cellobiose (2011) (29)
- Validating Empirical Force Fields for Molecular-level Simulation of Cellulose Dissolution (2012) (29)
- X-ray structure determination and modeling of the cyclic tetrasaccharide cyclo-{→6)-α-d-Glcp-(1→3)-α-d-Glcp-(1→6)-α-d-Glcp-(1→3)-α-d-Glcp-(1→} (2000) (28)
- Stepwise hydration of cellobiose by DFT methods: 1. Conformational and structural changes brought about by the addition of one to four water molecules (2006) (27)
- Structural characterization of alpha-zein. (2006) (26)
- Investigation of the Cis and Trans Isomers of Sarcosylsarcosine by Nuclear Magnetic Resonance Spectroscopy and Conformational Energy Calculations (1973) (26)
- DFT studies of the disaccharide, α-maltose: relaxed isopotential maps (2007) (25)
- DFTMD studies of β-cellobiose: conformational preference using implicit solvent. (2011) (24)
- Conformational energy calculations on substance P. (2009) (24)
- Conformational energy calculations of enzyme-substrate interactions. I. Computation of preferred conformations of some substrates of -chymotrypsin. (2009) (22)
- Conformational analysis of chirally deuterated tunicamycin as an active site probe of UDP-N-acetylhexosamine:polyprenol-P N-acetylhexosamine-1-P translocases. (2004) (21)
- Minimization of polypeptide energy. IV. Further studies of gramicidin S. (1969) (21)
- Density functional study of the infrared spectrum of glucose and glucose monohydrates in the OH stretch region (2009) (21)
- DFT study of α-maltose: influence of hydroxyl orientations on the glycosidic bond (2007) (21)
- Electron Diffraction Determination of the Molecular Structure of the Butyl Halides. IV. The Structure and Conformational Analysis ofn-Butyl Bromide in the Gas Phase (1963) (21)
- Stepwise hydration of cellobiose by DFT methods: 2. Energy contributions to relative stabilities of cellobiose·(H2O)1–4 complexes (2006) (21)
- Molecular dynamics simulations of a cyclic-DP-240 amylose fragment in a periodic cell: Glass transition temperature and water diffusion (2009) (21)
- Correlation of degradative rates of proteins with a parameter calculated from amino acid composition and subunit size. (1976) (18)
- The determination of intermolecular potentials from crystal data, I. General theory and application to crystalline benzene at several temperatures. (1968) (18)
- Geometry optimization, energetics and solvation studies on four- and five-membered cyclic and disulfide-bridged peptides, using the programs quanta 3.3 and charmm 22 (1993) (18)
- Total Synthesis of Himachalene Sesquiterpenes of Aphthona and Phyllotreta Flea Beetles (2003) (17)
- DFT energy optimization of a large carbohydrate: cyclomaltohexaicosaose (CA-26). (2012) (17)
- DFT optimization and DFT-MD studies of glucose, ten explicit water molecules enclosed by an implicit solvent, COSMO (2014) (17)
- Electron Diffraction Determination of the Molecular Structure of the Butyl Halides. V. The Structure and Conformational Analysis of Isobutyl Chloride (1964) (17)
- THE STRUCTURE OF 1,2,5-THIADIAZOLE1 (1961) (16)
- Computer-Assisted Modeling of Xenobiotic Growth Hormone Secretagogues (1996) (15)
- DFT conformational studies of α‐maltotriose (2008) (15)
- Computationally directed biorational drug design of peptides. (1986) (13)
- On the structure of thyrotropin releasing factor (1975) (13)
- Molecular dynamics simulations on the mycotoxin fumonisin B1. (2001) (13)
- DFT conformation and energies of amylose fragments at atomic resolution. Part 1: Syn forms of alpha-maltotetraose. (2009) (13)
- Ab initio study of the conformations of the cyclohexyl and 1-hydroxycyclohexyl radicals (1980) (13)
- 1,3-di(3-Methoxybenzyl) thiourea and related lipid antioxidants (2002) (12)
- Electron Diffraction Determination of the Molecular Structure of the Butyl Halides. III. t-Butyl Chloride in the Gas Phase (1963) (12)
- Tryptophan 67 in the human VPAC(1) receptor: crucial role for VIP binding. (2000) (12)
- Alternansucrase acceptor reactions with D-tagatose and L-glucose. (2005) (11)
- Conformational analysis and structural study by ab initio gradient geometry optimizations of the model tripeptide N-formyl L-alanyl L-alanine amide (1993) (11)
- New advances on the regulation of growth hormone (GH) secretion. (1984) (11)
- On the conformation of luteinizing hormone-releasing hormone, nuclear Overhauser observations. (1979) (11)
- X-ray structure determination and modeling of the cyclic tetrasaccharide cyclo. (2000) (10)
- DFT molecular dynamics (DFTMD) simulations of carbohydrates: COSMO solvated α-maltose (2010) (10)
- Drug Design Using a Protein Pseudoreceptor (1989) (9)
- AB INITIO STUDIES OF MOLECULAR GEOMETRIES. 27. OPTIMIZED MOLECULAR STRUCTURES S AND CONFORMATIONAL ANALYSIS OF Nα-ACETYL-N-METHYLALANINAMIDE AND COMPARISON WITH PEPTIDE CRYSTAL DATA AND EMPIRICAL CALCULATIONS (1983) (9)
- On the importance of full geometry optimization in correlation-level ab initio molecular conformational analyses (1996) (9)
- Male-specific sesquiterpenes from Phyllotreta flea beetles. (2011) (8)
- 27 ps DFT molecular dynamics simulation of α‐maltose: A reduced basis set study (2010) (7)
- DFT conformation and energies of amylose fragments at atomic resolution. Part 2: 'Band-flip' and 'kink' forms of alpha-maltotetraose. (2009) (7)
- B3LYP/6-311++G** study of alpha- and beta-D-glucopyranose and 1,5-anhydro-D-glucitol: 4C1 and 1C4 chairs, (3,O)B and B(3,O) boats, and skew-boat conformations. (2004) (7)
- On the use of conformationally dependent geometry trends from ab initio dipeptide and oligopeptide studies in empirical peptide modeling (1991) (7)
- Oxidation and metal-ion affinities of a novel cyclic tetrasaccharide. (2003) (7)
- Antiovulatory Potency and Conformation of an Antagonist of the Luteinizing Hormone-Releasing Hormone Having Six D-Amino Acids (1982) (7)
- Conformational energy analysis of the molecule, luteinizing hormone-releasing hormone. I. Native decapeptide. (1976) (7)
- B3LYP/6-311++G** study of monohydrates of alpha- and beta-D-glucopyranose: hydrogen bonding, stress energies, and effect of hydration on internal coordinates. (2004) (7)
- COSMO-DFTr study of cellulose fragments: Structural features, relative energy, and hydration energies (2012) (7)
- Conformational energy analysis of retro‐all‐Dmethionine enkephalin (1978) (6)
- Structure and disulfide bonding pattern of the hevein-like peptide domains from plant class IV chitinases ☆ (2015) (6)
- Conformational Analysis and Polypeptide Drug Design (1981) (5)
- Conformational studies on the enkephalin releasing peptides. Tyr-Arg and Tyr-D-Arg. (1982) (5)
- Determination of the preferred conformation of the bicyclic Galerucella pheromone using density functional theory optimization and calculations of chemical shifts. (2006) (5)
- Differential EI fragmentation pathways for peracetylated C-glycoside ketones as a consequence of bicyclic ketal ring structures. (2007) (4)
- Conformational energy studies of the growth hormone inhibitor, cyclo (Aha-Cys-Phe-D-Trp-Lys-Thr-Cys). (1980) (4)
- DFT study of alpha- and beta-D-galactopyranose at the B3LYP/6-311++G** level of theory. (2006) (4)
- Conformational studies on vancomycin using QUANTA/CHARMm (1992) (3)
- Investigation of electron correlation effects on molecular geometries (1994) (3)
- A critique on analog antagonists of LHRH. (1981) (2)
- DFT study of alpha- and beta-D-mannopyranose at the B3LYP/6-311++G** level. (2005) (2)
- Ab initio computational study of beta-cellobiose conformers using B3LYP/6-311++G**. (2002) (2)
- Molecular dynamics calculations on amylose fragments. I. Glass transition temperatures of maltodecaose at 1, 5, 10, and 15.8% hydrationThis article is a US Government work and, as such, is in the public domain in the United States of America. (2002) (2)
- DFT study of alpha- and beta-D-allopyranose at the B3LYP/6-311++G ** level of theory. (2007) (2)
- CONFORMATIONAL ANALYSIS OF THE MOLECULE LUTEINIZING HORMONE-RELEASING HORMONE. 3. ANALOG INHIBITORS AND ANTAGONISTS (1978) (2)
- On the use of conformationally dependent geometry trends from ab initio studies to determine empirical parameters for the CHARMm molecular mechanics force field (1991) (1)
- DFTr Studies of Five‐ and Six‐Residue Cyclic‐β(1→4) Cellulosic Molecules (2012) (1)
- Side-chain torsional energies, conformer populations, and other tests of an improved conformational energy program for peptides: ECEPP83 (2009) (1)
- Backbone conformations, bend structures, helix structures and other tests of an improved conformational energy program for peptides: ECEPP83 (2009) (1)
- INTERMOLECULAR POTENTIALS FROM CRYSTAL DATA PART 3, DETERMINATION OF EMPIRICAL POTENTIALS AND APPLICATION TO THE PACKING CONFIGURATIONS OF HYDROCARBONS, CARBOXYLIC ACIDS, AMINES, AMIDES AND AMINO ACIDS (1974) (1)
- B3LYP/6-311++G** geometry-optimization study of pentahydrates of alpha- and beta-D-glucopyranose. (2005) (1)
- DFT studies of the disaccharide, alpha-maltose: relaxed isopotential maps. (2007) (1)
- Conformational energy calculations on the growth hormone inhibitor: Somatostatin (2009) (0)
- peptidic compounds exhibiting activity release of growth hormone. (1991) (0)
- Polypeptides with hormone growth liberating effect. (1989) (0)
- Growth hormone response of histidine d tryptophanylalanyltryptophanyl d phenylalanyllysinamide is dependent on multiple factors in the rat (1984) (0)
- Combinations with synergistic effect on the release of growth hormone and procedures for their use (1988) (0)
- Conformational Analysis and Polypeptide Drug Design (134 Literaturangaben). (1982) (0)
- An IBM Card System for Literature References (1961) (0)
- Molecular modeling in protein design and engineering (1989) (0)
- A New Empirical Intermolecular Potential Energy Function for Hydrogen Bonding: Application to the Gas Phase and Solid State of Carboxylic Acids and Alcohols (1976) (0)
- An intermediate Foer anvaendning at framstaellning of penta Science hexapeptide Vilka frigoer tillvaexthormon. (1983) (0)
- Geometry optimization, energetics, and solvation studies on six-membered cyclic peptides, using the programs QUANTA3.3/CHARMm22 (1994) (0)
- Orbital Calculations for Model Peptidesltz (1969) (0)
- Process for the preparation of peptides of hypofysevaeksthormonfrigoerende activity. (1992) (0)
- DFTMD studies of b-cellobiose : conformational preference using implicit solvent q (2011) (0)
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