Carlos Jaime

发表

Molecular recognition by β-cyclodextrin derivatives: molecular dynamics, free-energy perturbation and molecular mechanics/ Poisson–Boltzmann surface area goals and problems

Peter Kollman, P. Kollman, Ivan Beà, 2002 .

Shuttling Process in [2]Rotaxanes. Modeling by Molecular Dynamics and Free Energy Perturbation Simulations

Petko M. Ivanov, Carlos Jaime, Xavi Grabuleda, 2003 .

Chiral discrimination of ibuprofen isomers in β-cyclodextrin inclusion complexes: experimental (NMR) and theoretical (MD, MM/GBSA) studies

Ramón Garduño-Juárez, R. Garduño-Juárez, D. Díaz, 2006 .

Carbon-13 NMR chemical shifts. A single rule to determine the conformation of calix[4]arenes

P. Nieto, P. Prados, J. D. Mendoza, 1991 .

Insights into the Structure of Large-Ring Cyclodextrins through Molecular Dynamics Simulations in Solution.

Carlos Jaime, C. Jaime, Petko M Ivanov, 2004, The journal of physical chemistry. B.

Fine-tuning ligand-receptor design for selective molecular recognition of dicarboxylic acids.

Antoni Llobet, A. Llobet, T. Parella, 2007, Inorganic chemistry.

Molecular dynamics simulation studies of liquid acetonitrile: New six‐site model

Peter A. Kollman, Xavier Grabuleda, P. Kollman, 2000, J. Comput. Chem..

Crystal and molecular structure of bis(9-triptycyl) ether

Tasuku Ito, Hiizu Iwamura, Eiji Osawa, 1984 .

Computational studies on pseudorotaxanes by molecular dynamics and free energy perturbation simulations.

Carlos Jaime, Xavi Grabuleda, C. Jaime, 2003, The Journal of organic chemistry.

Size-tunable trehalose-based nanocavities: synthesis, structure, and inclusion properties of large-ring cyclotrehalans.

J. M. Benito, C. Ortiz Mellet, J. G. García Fernández, 2009, The Journal of organic chemistry.

MM2 Calculations on Cyclodextrins: Multimodal Inclusion Complexes

Carlos Jaime, C. Jaime, F. Perez, 1995 .