A quantum Mechanical Investigation of the Conformational Energetics of the Alanine and Glycine Dipeptides in the Gas Phase and in Aqueous Solution

Keywords

Altmetrics, Citation, Gas phase, Computer science, Alanine

References

No references recorded for this paper.

Cited by

• Comparison of the potentials of mean force for alanine tetrapeptide between integral equation theory and simulation.Khaerunisa Puspitasari — 1999
• Theoretical Study on Hydrophobicity of Amino Acids by the Solvation Free Energy Density ModelJunhyoung Kim — 2003
• Efficient model chemistries for peptides. II. Basis set convergence in the B3LYP methodP. M. Echenique, Gregory A. Chass — 2008
• Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split‐valence basis setsPablo Echenique, José Luis Alonso — 2008
• Neutron Stars 1 : Equation of State and StructureP. Haensel, A. Y. Potekhin, D. G. Yakovlev — 2007
• Force-field parametrization of retro-inverso modified residues: Development of torsional and electrostatic parametersDavid Curcó, F. Rodríguez-Ropero, Carlos Alemán — 2006
• Ab initio study of alanine polypeptide chain twisting.Ilia A. Solov’yov, Alexander V. Yakubovich, Andrey V. Solov’yov — 2005
• Temperature and pressure effects on conformational equilibria of alanine dipeptide in aqueous solution.Takahiro Takekiyo, Takashi Imai, Minoru Katō — 2004
• Analysis of the conformational profile of trishomocubane amino acid dipeptideKrishna Bisetty, Penny P. Govender, Hendrik G. Kruger — 2006
• Accurate Characterization of the Peptide Linkage in the Gas Phase: A Joint Quantum-Chemical and Rotational Spectroscopy Study of the Glycine Dipeptide Analogue.Cristina Puzzarini, Małgorzata Biczysko, Vincenzo Barone — 2014
• Underlying source of the relation between polypeptide conformation and strength of NH···O hydrogen bondsSteve Scheiner, Tapas Kar — 2007
• Physicochemical properties of the ternary complexes of Pt(II) with uracil and small peptide moieties: an experimental and computational studyShilpi Mandal, G. Das, Hassan Askari — 2015
• The preferred conformation of dipeptides in the context of biosynthesisRobert P. Bywater, Valera Veryazov — 2013
• Study on the conformational equilibrium of the alanine dipeptide in water solution by using the averaged solvent electrostatic potential from molecular dynamics methodology.Francisco F. García-Prieto, Ignacio Fdez. Galván, M. Aguilar — 2011
• Structure of dipeptides having N-terminal selenocysteine residues: a DFT study in gas and aqueous phaseShilpi Mandal, G. Das — 2013
• Basic conformers in beta-peptides.Kerstin M�hle, Robert G�nther, Michael Thormann — 1999
• Influence of C-terminal residues on the structural and molecular properties of dipeptides: a theoretical study in a vacuum and implicit and explicit aqueous environmentsG. Das, Shilpi Mandal — 2014
• Conformational changes in glycine tri- and hexapeptideAlexander V. Yakubovich, Ilia A. Solov’yov, Andrey V. Solov’yov — 2005
• THE EFFECTS OF BASIS SET AND BLOCKING GROUPS ON THE CONFORMATIONAL ENERGIES OF GLYCYL AND ALANYL DIPEPTIDES. A HARTREE-FOCK AND MP2 STUDYWendy D. Cornell, Ian R. Gould, Peter A. Kollman — 1997
• Geometry optimization of molecular structures in solution by the polarizable continuum modelVincenzo Barone, Maurizio Cossi, Jacopo Tomasi — 1998

Related papers

• An Introduction to AltmetricsTara Brigham — 2014
• Do Altmetrics Work? Twitter and Ten Other Social Web ServicesMike Thelwall, Stefanie Haustein, Vincent Larivière — 2013
• Do altmetrics follow the crowd or does the crowd follow altmetrics?Hamed Alhoori, Richard Furuta — 2014
• The potential for altmetrics to measure other types of impact in scientific production: academic and social impact dynamics in social media and networksJoão de Melo Maricato, Jayme Leiro Vilan Filho — 2018
• An Altmetric Analysis of Top Journals in Library and Information ScienceRangaswamy Buddayya, Rajendra Babu H — 2019
• Sharing and assessing the impact of orthodontic research on social media: The case of altmetricsChristos Livas, Konstantina Delli — 2023