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Disambiguation of "Ruiz-López, Manuel F."

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Reaching multi-nanosecond timescales in combined QM/MM molecular dynamics simulations through parallel horsetail sampling.

, and . J. Comput. Chem., 38 (10): 659-668 (2017)

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Manuel Miranda López

Manuel López-Serrano Santos

Carlos-Manuel López-Enríquez

Juan Manuel Salgado López

Manuel Antonio López Valdés

 

Other publications of authors with the same name

Theoretical study of ester enolate-imine condensation route to -lactams., , , , and . J. Comput. Chem., 19 (16): 1826-1833 (1998)Modeling -lactam interactions in aqueous solution through combined quantum mechanics-molecular mechanics methods., , , , and . J. Comput. Chem., 20 (13): 1401-1411 (1999)Dipole and quadrupole polarizabilities of the water molecule as a function of geometry., , , , and . J. Comput. Chem., 37 (23): 2125-2132 (2016)Rb+/Cs+ selectivity of benzo and tribenzo derivatives of the 21C7 crown ether. A density functional study., , and . J. Comput. Chem., 23 (7): 724-731 (2002)A coupled density functional-molecular mechanics Monte Carlo simulation method: The water molecule in liquid water., , , , and . J. Comput. Chem., 17 (1): 19-29 (1996)Computation of hydration free energies using a parameterized continuum model: Study of equilibrium geometries and reactive processes in water solution., , , and . J. Comput. Chem., 17 (2): 148-155 (1996)Improving description of hydrogen bonds at the semiempirical level: water-water interactions as test case., , , and . J. Comput. Chem., 21 (7): 572-581 (2000)Electrostatic component of solvation: Comparison of SCRF continuum models., , , , , , and . J. Comput. Chem., 24 (3): 284-297 (2003)Influence of environment on proton-transfer mechanisms in model triads from theoretical calculations., , , and . J. Comput. Chem., 19 (15): 1675-1688 (1998)Mechanistic Investigation of Lysine-Targeted Covalent Inhibition of PI3Kδ via ONIOM QM: QM Computations., , , , and . J. Chem. Inf. Model., 62 (24): 6775-6787 (2022)