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Carmen Medina Llanos
Carmen Medina Llanos
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Alıntı yapanlar
Yıl
A new method for predicting binding affinity in computer-aided drug design
J Åqvist, C Medina, JE Samuelsson
Protein Engineering, Design and Selection 7 (3), 385-391, 1994
14631994
N-Benzyl-indolo carboxylic acids: Design and synthesis of potent and selective adipocyte fatty-acid binding protein (A-FABP) inhibitors
T Barf, F Lehmann, K Hammer, S Haile, E Axen, C Medina, J Uppenberg, ...
Bioorganic & medicinal chemistry letters 19 (6), 1745-1748, 2009
1092009
Discovery of inhibitors of human adipocyte fatty acid-binding protein, a potential type 2 diabetes target
F Lehmann, S Haile, E Axen, C Medina, J Uppenberg, S Svensson, ...
Bioorganic & medicinal chemistry letters 14 (17), 4445-4448, 2004
952004
Are automated molecular dynamics simulations and binding free energy calculations realistic tools in lead optimization? An evaluation of the linear interaction energy (LIE) method
E Stjernschantz, J Marelius, C Medina, M Jacobsson, NPE Vermeulen, ...
Journal of chemical information and modeling 46 (5), 1972-1983, 2006
752006
Nonadditivity in an analytical intermolecular potential: The water–water interaction
H Saint‐Martin, C Medina‐Llanos, I Ortega‐Blake
The Journal of chemical physics 93 (9), 6448-6452, 1990
711990
Self‐consistent reaction field calculations of photoelectron binding energies for solvated molecules
C Medina‐Llanos, H Ågren, KV Mikkelsen, HJA Jensen
The Journal of Chemical Physics 90 (11), 6422-6435, 1989
411989
On the validity of the equivalent core approximation in Born-Haber analyses of liquids and solutions
H Ågren, C Medina-Llanos, KV Mikkelsen, HJA Jensen
Chemical physics letters 153 (4), 322-327, 1988
191988
Studies on membrane hydration.: Part I. Monte Carlo simulation of the cholesterol—water interface
AR Engelmann, CM Llanos, PG Nyholm, O Tapia, I Pascher
Journal of Molecular Structure: THEOCHEM 151, 81-102, 1987
111987
Statistical simulations of photoelectron spectral functions for aqueous solutions
C Medina-Llanos, H Ågren
Physical Review B 38 (16), 11785, 1988
101988
A New Method for Predicting Binding Affinity in Computer-Aided Drug Design
J Aaqvist, C Medina, JE Samuelson
CHEMTRACTS ORGANIC CHEMISTRY 8, 374-376, 1995
31995
A NEW METHOD FOR CALCULATION OF BINDING CONSTANTS IN COMPUTER-AIDED DRUG DESIGN
J AQVIST, C MEDINA
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 206, 124-PHYS, 1993
1993
Studies of solvent effects by reaction field theory and Monte Carlo simulation
C Medina Llanos
Acta Universitatis Upsaliensis, 1988
1988
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