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1

It's time to listen: there is much to be learned from the sounds of tropical ecosystems

Deichmann, Jessica L., Acevedo-Charry, Orlando, Barclay, Leah, Burivalova, Zuzana, Campos-Cerqueira, Marconi, d'Horta, Fernando, Game, Edward T., Gottesman, Benjamin L., Hart, Patrick J., Kalan, Ammie

Journal:

Year:

2018

Language:

english

File:

PDF, 298 KB

english, 2018

2

An Ionic Liquid Dependent Mechanism for Base Catalyzed β-Elimination Reactions from QM/MM Simulations

Allen, Caley, Sambasivarao, Somisetti V., Acevedo, Orlando

Journal:

Journal of the American Chemical Society

Year:

2013

Language:

english

File:

PDF, 3.64 MB

english, 2013

3

Density Functional Theory Determination of an Axial Gateway To Explain the Rate and Endo Selectivity Enhancement of Diels−Alder Reactions by Bis(oxazoline)-Cu(II)

DeChancie, Jason, Acevedo, Orlando, Evanseck, Jeffrey D.

Journal:

Journal of the American Chemical Society

Year:

2004

Language:

english

File:

PDF, 223 KB

english, 2004

4

Using Electronic Theory To Identify Metabolites Present in 17α-Ethinylestradiol Biotransformation Pathways

Barr, William J., Yi, Taewoo, Aga, Diana, Acevedo, Orlando, Harper, Willie F.

Journal:

Environmental Science & Technology

Year:

2012

Language:

english

File:

PDF, 1.23 MB

english, 2012

5

[Annual Reports in Computational Chemistry] Volume 2 || Chapter 14 Solvent Effects on Organic Reactions from QM/MM Simulations

Acevedo, Orlando

Year:

2006

Language:

english

File:

PDF, 368 KB

english, 2006

6

Sustainable Overall Throughputability Effectiveness (S.O.T.E.) as a Metric for Production Systems

Durán, Orlando, Capaldo, Andrea, Duran Acevedo, Paulo

Journal:

Year:

2018

Language:

english

File:

PDF, 2.10 MB

english, 2018

7

Recovery of amphibian, reptile, bird and mammal diversity during secondary forest succession in the tropics

Acevedo‐Charry, Orlando, Aide, T. Mitchell

Journal:

Year:

2019

File:

PDF, 644 KB

2019

8

First record and conservation status of Allobates algorei (Anura: Aromobatidae) in Colombia

ACEVEDO, ALDEMAR A., ARMESTO, ORLANDO, MEZA-JOYA, FABIO LEONARDO

Journal:

Year:

2019

Language:

english

File:

PDF, 2.88 MB

english, 2019

9

Two new species of Pristimantis (Anura: Craugastoridae) with notes on theÂ distribution of the genus in northeastern Colombia

ACEVEDO, ALDEMAR A., ARMESTO, ORLANDO, PALMA, R. EDUARDO

Journal:

Year:

2020

Language:

english

File:

PDF, 8.61 MB

english, 2020

10

Transition States and Transition Structures

Orlando Acevedo, Jeffrey D. Evanseck

Journal:

Year:

2004

File:

PDF, 48 KB

2004

11

Optimal scaling factors for CM1 and CM3 atomic charges in RM1-based aqueous simulations

Jonah Z. Vilseck, Somisetti V. Sambasivarao, Orlando Acevedo

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 309 KB

english, 2011

12

pH Corrections in Chemical Denaturant Solutions

Orlando Acevedo, Mercedes Guzman-Casado, Maria M. Garcia-Mira, Beatriz Ibarra-Molero, Jose M. Sanchez-Ruiz

Journal:

Analytical Biochemistry

Year:

2002

Language:

english

File:

PDF, 54 KB

english, 2002

13

Determination of local effects for chloroaluminate ionic liquids on Diels–Alder reactions

Orlando Acevedo

Journal:

Journal of Molecular Graphics and Modelling

Year:

2009

Language:

english

File:

PDF, 426 KB

english, 2009

14

Enhanced sampling by multiple molecular dynamics trajectories: carbonmonoxy myoglobin 10 μs A0 → A1–3 transition from ten 400 picosecond simulations

Anne E. Loccisano, Orlando Acevedo, Jason DeChancie, Brita G. Schulze, Jeffrey D. Evanseck

Journal:

Journal of Molecular Graphics and Modelling

Year:

2004

Language:

english

File:

PDF, 168 KB

english, 2004

15

Functional discrimination of sea anemone neurotoxins using 3D-plotting

Ludis Morales, Orlando Acevedo, María Martínez, Dmitry Gokhman, Carlos Corredor

Journal:

Central European Journal of Biology

Year:

2009

Language:

english

File:

PDF, 2.36 MB

english, 2009

16

Sequence mapping in a three-dimensional space by a numeric method and some of its applications

Leonard R. Lareo, Orlando E. Acevedo

Journal:

Acta Biotheoretica

Year:

1999

File:

PDF, 170 KB

1999

17

ChemInform Abstract: Computing Free-Energy Profiles Using Multidimensional Potentials of Mean Force and Polynomial Quadrature Methods

Jonah Z. Vilseck, Orlando Acevedo

Journal:

Year:

2012

File:

PDF, 19 KB

2012

18

Prevalence and risk factors of infections by multiresistant bacteria in cirrhosis: A prospective study

Javier Fernández, Juan Acevedo, Miriam Castro, Orlando Garcia, Carlos Rodríguez de Lope, Daria Roca, Marco Pavesi, Elsa Sola, Leticia Moreira, Anibal Silva, Tiago Seva-Pereira, Francesco Corradi, Jose

Journal:

Year:

2012

Language:

english

File:

PDF, 881 KB

english, 2012

19

Solvent Effects and Mechanism for a Nucleophilic Aromatic Substitution from QM/MM Simulations

Acevedo, Orlando, Jorgensen, William L.

Journal:

Organic Letters

Year:

2004

Language:

english

File:

PDF, 204 KB

english, 2004

20

Influence of Inter- and Intramolecular Hydrogen Bonding on Kemp Decarboxylations from QM/MM Simulations

Acevedo, Orlando, Jorgensen, William L.

Journal:

Journal of the American Chemical Society

Year:

2005

Language:

english

File:

PDF, 215 KB

english, 2005

21

Advances in Quantum and Molecular Mechanical (QM/MM) Simulations for Organic and Enzymatic Reactions

Acevedo, Orlando, Jorgensen, William L.

Journal:

Accounts of Chemical Research

Year:

2010

Language:

english

File:

PDF, 3.29 MB

english, 2010

22

Pairwise Alternatives to Ewald Summation for Calculating Long-Range Electrostatics in Ionic Liquids

McCann, Billy W., Acevedo, Orlando

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.68 MB

english, 2013

23

Multidimensional Exploration of Valley−Ridge Inflection Points on Potential-Energy Surfaces

Sheppard, April N., Acevedo, Orlando

Journal:

Journal of the American Chemical Society

Year:

2009

Language:

english

File:

PDF, 3.37 MB

english, 2009

24

Design, development and evaluation of novel dual PPARδ/PPARγ agonists

Gathiaka, Symon, Nanayakkara, Gayani, Boncher, Tracey, Acevedo, Orlando, Wyble, Johnathon, Patel, Sagar, Patel, Akash, Shane, Mary Elizabeth, Bonkowski, Blake, Wieczorek, Jason, Rong, Yinghui, Huggins

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1022 KB

english, 2013

25

Computational Insight into Small Molecule Inhibition of Cyclophilins

Sambasivarao, Somisetti V., Acevedo, Orlando

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 2.72 MB

english, 2011

26

Cope Elimination: Elucidation of Solvent Effects from QM/MM Simulations

Acevedo, Orlando, Jorgensen, William L.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 276 KB

english, 2006

27

Claisen Rearrangements: Insight into Solvent Effects and “on Water” Reactivity from QM/MM Simulations

Acevedo, Orlando, Armacost, Kira

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 2.49 MB

english, 2010

28

Role of Water in the Multifaceted Catalytic Antibody 4B2 for Allylic Isomerization and Kemp Elimination Reactions

Acevedo, Orlando

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 3.57 MB

english, 2009

29

Proteomic analysis of the enzymes involved in the starch biosynthesis of maize with different endosperm type and characterization of the starch

Juárez-García, Erika, Agama-Acevedo, Edith, Gómez-Montiel, Noel Orlando, Pando-Robles, Victoria, Bello-Pérez, Luis Arturo

Journal:

Journal of the Science of Food and Agriculture

Year:

2013

Language:

english

File:

PDF, 229 KB

english, 2013

30

Discovery of a Potent, Selective, and Efficacious Class of Reversible α-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Effective as Analgesics ∇

Boger, Dale L., Miyauchi, Hiroshi, Du, Wu, Hardouin, Christophe, Fecik, Robert A., Cheng, Heng, Hwang, Inkyu, Hedrick, Michael P., Leung, Donmienne, Acevedo, Orlando, Guimarães, Cristiano R. W., Jorge

Journal:

Journal of Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 303 KB

english, 2005

31

Development of OPLS-AA Force Field Parameters for 68 Unique Ionic Liquids

Sambasivarao, Somisetti V., Acevedo, Orlando

Journal:

Journal of Chemical Theory and Computation

Year:

2009

Language:

english

File:

PDF, 462 KB

english, 2009

32

Amino Acid Propensities Revisited

Acevedo, Orlando E., Lareo, Leonardo R.

Journal:

Omics A Journal of Integrative Biology

Year:

2005

Language:

english

File:

PDF, 136 KB

english, 2005

33

Characterization ofPfTrxR inhibitors using antimalarial assays andin silicotechniques

Munigunti, Ranjith, Gathiaka, Symon, Acevedo, Orlando, Sahu, Rajnish, Tekwani, Babu, Calderón, Angela I

Journal:

Chemistry Central Journal

Year:

2013

Language:

english

File:

PDF, 412 KB

english, 2013

34

Äthylenoxyd für Begasung von Nahrungsmitteln

Munigunti, Ranjith, Gathiaka, Symon, Acevedo, Orlando, Sahu, Rajnish, Tekwani, Babu, Calderón, Angela I

Journal:

Journal of Pest Science

Year:

1933

Language:

german

File:

PDF, 110 KB

german, 1933

35

Exploring Solvent Effects upon the Menshutkin Reaction Using a Polarizable Force Field

Acevedo, Orlando, Jorgensen, William L.

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 205 KB

english, 2010

36

Quantum and molecular mechanical Monte Carlo techniques for modeling condensed-phase reactions

Acevedo, Orlando, Jorgensen, Wiliiam L.

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2014

Language:

english

File:

PDF, 819 KB

english, 2014

37

Ionic Liquid Effects on Nucleophilic Aromatic Substitution Reactions from QM/MM Simulations

Allen, Caley, McCann, Billy W., Acevedo, Orlando

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 1.34 MB

english, 2015

38

Effect of Phenyl Derivatization on the Stabilities of Antimicrobial N -Chlorohydantoin Derivatives

Kocer, Hasan B., Worley, S. D., Broughton, R. M., Acevedo, Orlando, Huang, T. S.

Journal:

Industrial & Engineering Chemistry Research

Year:

2010

Language:

english

File:

PDF, 1.08 MB

english, 2010

39

Medium Effects on the Decarboxylation of a Biotin Model in Pure and Mixed Solvents from QM/MM Simulations

Acevedo, Orlando, Jorgensen, William L.

Journal:

Journal of Organic Chemistry

Year:

2006

Language:

english

File:

PDF, 338 KB

english, 2006

40

Mechanism of Photolytic Decomposition of N-Halamine Antimicrobial Siloxane Coatings

Kocer, Hasan B., Akdag, Akin, Worley, S. D., Acevedo, Orlando, Broughton, R. M., Wu, Yonnie

Journal:

ACS Applied Materials & Interfaces

Year:

2010

Language:

english

File:

PDF, 1.37 MB

english, 2010

41

Exploring the Catalytic Mechanism of Alkanesulfonate Monooxygenase Using Molecular Dynamics

Armacost, Kira, Musila, Jonathan, Gathiaka, Symon, Ellis, Holly R., Acevedo, Orlando

Journal:

Year:

2014

Language:

english

File:

PDF, 9.27 MB

english, 2014

42

Elucidation of Hydrolysis Mechanisms for Fatty Acid Amide Hydrolase and Its Lys142Ala Variant via QM/MM Simulations

Tubert-Brohman, Ivan, Acevedo, Orlando, Jorgensen, William L.

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 602 KB

english, 2006

43

Understanding Rate Accelerations for Diels−Alder Reactions in Solution Using Enhanced QM/MM Methodology

Acevedo, Orlando, Jorgensen, William L.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 265 KB

english, 2007

44

Inter- and Intramolecular Mechanisms for Chlorine Rearrangements in Trimethyl-Substituted N -Chlorohydantoins

McCann, Billy W., Song, Hao, Kocer, Hasan B., Cerkez, Idris, Acevedo, Orlando, Worley, S. D.

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 1.60 MB

english, 2012

45

The Effect of Solvent on a Lewis Acid Catalyzed Diels−Alder Reaction, Using Computed and Experimental Kinetic Isotope Effects

Acevedo, Orlando, Evanseck, Jeffrey D.

Journal:

Organic Letters

Year:

2003

Language:

english

File:

PDF, 119 KB

english, 2003

46

Elucidation of Rate Variations for a Diels−Alder Reaction in Ionic Liquids from QM/MM Simulations

Acevedo, Orlando, Jorgensen, William L., Evanseck, Jeffrey D.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 237 KB

english, 2007

47

Mechanism of 5,5-Dimethylhydantoin Chlorination: Monochlorination through a Dichloro Intermediate

Akdag, Akin, Worley, S. D., Acevedo, Orlando, McKee, Michael L.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 165 KB

english, 2007

48

A New Solvent-Dependent Mechanism for a Triazolinedione Ene Reaction

Acevedo, Orlando, Squillacote, Michael E.

Journal:

Journal of Organic Chemistry

Year:

2008

Language:

english

File:

PDF, 692 KB

english, 2008

49

Computation of Accurate Activation Barriers for Methyl-Transfer Reactions of Sulfonium and Ammonium Salts in Aqueous Solution

Gunaydin, Hakan, Acevedo, Orlando, Jorgensen, William L., Houk, K. N.

Journal:

Journal of Chemical Theory and Computation

Year:

2007

Language:

english

File:

PDF, 190 KB

english, 2007

50

Exploring the Aldol Reaction using Catalytic Antibodies and “On Water” Organocatalysts from QM/MM Calculations

Armacost, Kira, Acevedo, Orlando

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 3.88 MB

english, 2014

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