User profiles for Carolina Reyes

Carolina Reyes

Empa
Verified email at empa.ch
Cited by 810

Calculating structures and free energies of complex molecules: combining molecular mechanics and continuum models

PA Kollman, I Massova, C Reyes, B Kuhn… - Accounts of chemical …, 2000 - ACS Publications
A historical perspective on the application of molecular dynamics (MD) to biological
macromolecules is presented. Recent developments combining state-of-the-art force fields with …

Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent …

W Wang, O Donini, CM Reyes… - Annual review of …, 2001 - annualreviews.org
▪ Abstract Computer modeling has been developed and widely applied in studying molecules
of biological interest. The force field is the cornerstone of computer simulations, and many …

The direct cost and incidence of systemic fungal infections

LS Wilson, CM Reyes, M Stolpman, J Speckman… - Value in Health, 2002 - Elsevier
OBJECTIVES: In this study we determined the incidence and direct inpatient and outpatient
costs of systemic fungal infections (candidiasis, aspergillosis, cryptococcosis, histoplasmosis…

[HTML][HTML] Big data analysis of treatment patterns and outcomes among elderly acute myeloid leukemia patients in the United States

…, D Hurst, KQ Hoang, F Momin, C Reyes - Annals of …, 2015 - Springer
Over half of patients diagnosed with acute myeloid leukemia (AML) are 65 years or older. We
examined patient characteristics, treatment patterns, and survival among elderly patients in …

Reductive processes controlling arsenic retention: revealing the relative importance of iron and arsenic reduction

KJ Tufano, C Reyes, CW Saltikov… - … Science & Technology, 2008 - ACS Publications
The fate and transport of arsenic is regulated, in part, by its strong affinity for iron (hydr)oxides.
A transition from aerobic to anaerobic conditions resulting in concomitant reduction of both …

[HTML][HTML] Microbial production of melanin and its various applications

AN Tran-Ly, C Reyes, FWMR Schwarze… - World Journal of …, 2020 - Springer
Melanins are natural biopolymers that are known to contribute to different biological processes
and to protect organisms from adverse environmental conditions. During the past decade, …

Emerging organic contaminant removal depending on primary treatment and operational strategy in horizontal subsurface flow constructed wetlands: influence of …

C Ávila, C Reyes, JM Bayona, J García - Water research, 2013 - Elsevier
This study aimed at assessing the influence of primary treatment (hydrolytic upflow sludge
blanket (HUSB) reactor vs. conventional settling) and operational strategy (alternation of …

Variations in the incidence of postpartum hemorrhage across hospitals in California

…, M Fridman, LM Korst, KD Gregory, C Reyes… - Maternal and child …, 2005 - Springer
Objective: Because postpartum hemorrhage may result from factors related to obstetrical
practice patterns, we examined the variability of postpartum hemorrhage and related risk factors …

An economic evaluation of the war on cancer

DN Lakdawalla, EC Sun, AB Jena, CM Reyes… - Journal of health …, 2010 - Elsevier
For decades, the US public and private sectors have committed substantial resources towards
cancer research, but the societal payoff has not been well-understood. We quantify the …

Systematic evaluation of multiple immune markers reveals prognostic factors in ovarian cancer

PP Santoiemma, C Reyes, LP Wang, MW McLane… - Gynecologic …, 2016 - Elsevier
Objective Epithelial ovarian cancer (EOC) is the most lethal gynecologic malignancy.
Several factors prognostic for survival have been identified including the presence of certain …