Mancera, Ricardo: search on Z-Library

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1

Ligand−Protein Docking with Water Molecules

Roberts, Benjamin C., Mancera, Ricardo L.

Journal:

Journal of Chemical Information and Modeling

Year:

2008

Language:

english

File:

PDF, 961 KB

english, 2008

2

Molecular dynamics simulation of the interaction of small molecules with biological membranes

Martinotti, Carlo, Ruiz-Perez, Lanie, Deplazes, Evelyne, Mancera, Ricardo L

Journal:

Year:

2020

File:

PDF, 3.87 MB

2020

3

Free Energy Calculations of Mutations Involving a Tightly Bound Water Molecule and Ligand Substitutions in a Ligand-Protein Complex

Alfonso T. García-Sosa, Ricardo L. Mancera

Journal:

Molecular Informatics

Year:

2010

Language:

english

File:

PDF, 625 KB

english, 2010

4

The concentration effect on the ‘hydrophobic’ and ‘hydrophilic’ behaviour around DMSO in dilute aqueous DMSO solutions. A computer simulation study

Ricardo L. Mancera, Michalis Chalaris, Jannis Samios

Journal:

Journal of Molecular Liquids

Year:

2004

Language:

english

File:

PDF, 176 KB

english, 2004

5

All stability multipliers for repeated MIMO nonlinearities

Ricardo Mancera, Michael G. Safonov

Journal:

Systems & Control Letters

Year:

2005

Language:

english

File:

PDF, 253 KB

english, 2005

6

New anti-tuberculosis drugs in clinical trials with novel mechanisms of action

Emma C. Rivers, Ricardo L. Mancera

Journal:

Drug Discovery Today

Year:

2008

Language:

english

File:

PDF, 931 KB

english, 2008

7

Ligand−Protein Cross-Docking with Water Molecules

Thilagavathi, Ramasamy, Mancera, Ricardo L.

Journal:

Journal of Chemical Information and Modeling

Year:

2010

Language:

english

File:

PDF, 3.76 MB

english, 2010

8

Molecular dynamics simulation of the phosphorylation-induced conformational changes of a tau peptide fragment

Lyons, Albert J., Gandhi, Neha S., Mancera, Ricardo L.

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2014

Language:

english

File:

PDF, 1.60 MB

english, 2014

9

Electrochemistry of proteins at the interface between two immiscible electrolyte solutions

Arrigan, Damien W.M., Hackett, Mark J., Mancera, Ricardo L.

Journal:

Current Opinion in Electrochemistry

Year:

2018

Language:

english

File:

PDF, 835 KB

english, 2018

10

Non-destructive measurement of metabolic activity in shoot tips after cryopreservation

Funnekotter, Bryn, Bunn, Eric, Mancera, Ricardo L.

Journal:

Year:

2018

Language:

english

File:

PDF, 50 KB

english, 2018

11

Revisiting the Interaction of Melittin with Phospholipid Bilayers: The Effects of Concentration and Ionic Strength

Sabapathy, Thiru, Deplazes, Evelyne, Mancera, Ricardo L.

Journal:

International Journal of Molecular Sciences

Year:

2020

Language:

english

File:

PDF, 3.25 MB

english, 2020

12

[IEEE 2019 IEEE Workshop on Power Electronics and Power Quality Applications (PEPQA) - Manizales, Colombia (2019.5.30-2019.5.31)] 2019 IEEE Workshop on Power Electronics and Power Quality Applications (PEPQA) - Load Models for Long-Term Voltage Stability Assessment

Mancera-Rodriguez, Mateo, Pavas, Andres, Rincon, Ricardo

Year:

2019

Language:

english

File:

PDF, 948 KB

english, 2019

13

Expanded Interaction Fingerprint Method for Analyzing Ligand Binding Modes in Docking and Structure-Based Drug Design.

Matthew D. Kelly, Ricardo L. Mancera

Journal:

Year:

2005

File:

PDF, 8 KB

2005

14

Including Tightly-Bound Water Molecules in de Novo Drug Design. Exemplification Through the in Silico Generation of Poly(ADP-ribose)polymerase Ligands.

Alfonso T. Garcia-Sosa, Stuart Firth-Clark, Ricardo L. Mancera

Journal:

Year:

2005

File:

PDF, 8 KB

2005

15

Comparative Analysis of the Surface Interaction Properties of the Binding Sites of CDK2, CDK4, and ERK2

Matthew D. Kelly, Ricardo L. Mancera

Journal:

Year:

2006

Language:

english

File:

PDF, 763 KB

english, 2006

16

Ligand–protein docking using a quantum stochastic tunneling optimization method

Ricardo L. Mancera, Per Källblad, Nikolay P. Todorov

Journal:

Journal of Computational Chemistry

Year:

2004

Language:

english

File:

PDF, 145 KB

english, 2004

17

Quantitative structure-activity relationships of competitive inhibitors of phosphoenolpyruvate carboxylase

Ricardo L. Mancera, Ariadne G. Gómez, Alejandro Pisanty

Journal:

Bioorganic & Medicinal Chemistry

Year:

1995

Language:

english

File:

PDF, 743 KB

english, 1995

18

Can current force fields reproduce ring puckering in 2-O-sulfo-α-l-iduronic acid? A molecular dynamics simulation study

Neha S. Gandhi, Ricardo L. Mancera

Journal:

Carbohydrate Research

Year:

2010

Language:

english

File:

PDF, 346 KB

english, 2010

19

A new explicit hydration penalty score for ligand–protein interactions

Ricardo L. Mancera

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 262 KB

english, 2004

20

The molecular binding interactions of inhibitors and activators of phosphoenolpyruvate carboxylase

Ricardo L. Mancera, Benjamin J. Carrington

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 469 KB

english, 2005

21

Does salt increase the magnitude of the hydrophobic effect? A computer simulation study

Ricardo L Mancera

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 117 KB

english, 1998

22

Thermodynamics of the hydration of non-polar substances

Ricardo L. Mancera, Bengt Kronberg, Miguel Costas, Rebecca Silveston

Journal:

Biophysical Chemistry

Year:

1998

Language:

english

File:

PDF, 700 KB

english, 1998

23

Docking Study and Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR) Analyses of Transforming Growth Factor-β Type I Receptor Kinase Inhibitors

Min Yang, Lu Zhou, Zhili Zuo, Ricardo Mancera, Hang Song, Xiangyang Tang, Xiang Ma

Journal:

Molecular Informatics

Year:

2009

Language:

english

File:

PDF, 755 KB

english, 2009

24

Towards an understanding of the molecular basis of hydrophobicity

Ricardo L. Mancera

Journal:

Journal of Computer-Aided Molecular Design

Year:

1996

Language:

english

File:

PDF, 475 KB

english, 1996

25

WaterScore: a novel method for distinguishing between bound and displaceable water molecules in the crystal structure of the binding site of protein-ligand complexes

Alfonso T. García-Sosa, Ricardo L. Mancera, Philip M. Dean

Journal:

Journal of Molecular Modeling

Year:

2003

Language:

english

File:

PDF, 346 KB

english, 2003

26

The effect of a tightly bound water molecule on scaffold diversity in the computer-aided de novo ligand design of CDK2 inhibitors

Alfonso T. García-Sosa, Ricardo L. Mancera

Journal:

Journal of Molecular Modeling

Year:

2006

Language:

english

File:

PDF, 371 KB

english, 2006

27

Molecular dynamics simulations of ligand-induced backbone conformational changes in the binding site of the periplasmic lysine-, arginine-, ornithine-binding protein

Ami Y.-C. Yang, Ricardo L. Mancera

Journal:

Journal of Computer-Aided Molecular Design

Year:

2008

Language:

english

File:

PDF, 637 KB

english, 2008

28

Cryopreservation of threatened native Australian species—what have we learned and where to from here?

Anja Kaczmarczyk, Shane R. Turner, Eric Bunn, Ricardo L. Mancera, Kingsley W. Dixon

Journal:

In Vitro Cellular & Developmental Biology - Plant

Year:

2011

Language:

english

File:

PDF, 200 KB

english, 2011

29

Prediction of the glass transition in aqueous solutions of simple amides by molecular dynamics simulations

Cara A. Kreck, Jestin B. Mandumpal, Ricardo L. Mancera

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 459 KB

english, 2011

30

Comparative estimation of vibrational entropy changes in proteins through normal modes analysis

Benjamin J. Carrington, Ricardo L. Mancera

Journal:

Journal of Molecular Graphics and Modelling

Year:

2004

Language:

english

File:

PDF, 151 KB

english, 2004

31

The Structure of Glycosaminoglycans and their Interactions with Proteins

Neha S. Gandhi, Ricardo L. Mancera

Journal:

Chemical Biology & Drug Design

Year:

2008

Language:

english

File:

PDF, 2.04 MB

english, 2008

32

De novoligand design with explicit water molecules: an application to bacterial neuraminidase

Ricardo L. Mancera

Journal:

Journal of Computer-Aided Molecular Design

Year:

2002

Language:

english

File:

PDF, 731 KB

english, 2002

33

The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models

David G. Lloyd, Alfonso T. García-Sosa, Ian L. Alberts, Nikolay P. Todorov, Ricardo L. Mancera

Journal:

Journal of Computer-Aided Molecular Design

Year:

2004

Language:

english

File:

PDF, 314 KB

english, 2004

34

Molecular modelling prediction of ligand binding site flexibility

Ami Yi-Ching Yang, Per Källblad, Ricardo L. Mancera

Journal:

Journal of Computer-Aided Molecular Design

Year:

2004

Language:

english

File:

PDF, 365 KB

english, 2004

35

Traveling waves in the Lethargic Crab Disease

Ricardo P. Ávila, Paulo F.A. Mancera, Lourdes Esteva, Marcio R. Pie, Cláudia P. Ferreira

Journal:

Applied Mathematics and Computation

Year:

2012

Language:

english

File:

PDF, 1.07 MB

english, 2012

36

Heparin/heparan sulphate-based drugs

Neha S. Gandhi, Ricardo L. Mancera

Journal:

Drug Discovery Today

Year:

2010

Language:

english

File:

PDF, 557 KB

english, 2010

37

Erratum to: Heparin/heparan sulphate-based drugs

Neha S. Gandhi, Ricardo L. Mancera

Journal:

Drug Discovery Today

Year:

2011

Language:

english

File:

PDF, 137 KB

english, 2011

38

Molecular modeling of Bt Cry1Ac (DI–DII)–ASAL (Allium sativum lectin)–fusion protein and its interaction with aminopeptidase N (APN) receptor of Manduca sexta

Sunita Tajne, Ramadevi Sanam, Rambabu Gundla, Neha S. Gandhi, Ricardo L. Mancera, Dayakar Boddupally, Dashavantha Reddy Vudem, Venkateswara Rao Khareedu

Journal:

Journal of Molecular Graphics and Modelling

Year:

2012

Language:

english

File:

PDF, 2.85 MB

english, 2012

39

Profuse Bleeding due to Transfusion of Contaminated Blood: Report of 5 Cases

L. Sánchez Medal, González C. Romeo, Ricardo Mancera, Dominguez T. J. Luis

Journal:

Year:

1961

Language:

english

File:

PDF, 397 KB

english, 1961

40

Free energy calculations of the interactions of c-Jun-based synthetic peptides with the c-Fos protein

Zhili Zuo, Neha S. Gandhi, Katja M. Arndt, Ricardo L. Mancera

Journal:

Year:

2012

Language:

english

File:

PDF, 519 KB

english, 2012

41

Why not use the HbA1c as a criterion of dysglycemia in the new definition of the metabolic syndrome? Impact of the new criteria in the prevalence of the metabolic syndrome in a Mediterranean urban population from Southern Europe (IMAP study. Multidisciplinary intervention in primary care)

M. Rosa Bernal-Lopez, Aurora Villalobos-Sanchez, Jose Mancera-Romero, Sergio Jansen-Chaparro, Antonio J. Baca-Osorio, Maria Dolores Lopez-Carmona, Francisco J. Tinahones, Ricardo Gomez-Huelgas

Journal:

Diabetes Research and Clinical Practice

Year:

2011

Language:

english

File:

PDF, 237 KB

english, 2011

42

Prevalencia de sobrepeso y obesidad en población adulta de un área de Salud Urbana

Ildefonso Martos-Cerezuela, José Mancera-Romero, Elena Sacristán-Visquert, Rafael Poyatos-Ramos, Juan Alfonso Rodríguez-Lagos, Salvador Ruiz-Vera, Enrique Berrobianco-Cobo, Ricardo Gómez-Huelgas

Journal:

Enfermería Clínica

Year:

2010

File:

PDF, 222 KB

2010

43

Prediction of heparin binding sites in bone morphogenetic proteins (BMPs)

Neha S. Gandhi, Ricardo L. Mancera

Journal:

Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics

Year:

2012

Language:

english

File:

PDF, 851 KB

english, 2012

44

New Anti-Tuberculosis Drugs with Novel Mechanisms of Action

Rivers, Emma, Mancera, Ricardo

Journal:

Current Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 269 KB

english, 2008

45

Molecular dynamics simulations of mixed DOPC–β-sitosterol bilayers and their interactions with DMSO

Hughes, Zak E., Mancera, Ricardo L.

Journal:

Year:

2013

Language:

english

File:

PDF, 2.75 MB

english, 2013

46

Metabolic syndrome and vascular risk estimation in a Mediterranean non-diabetic population without cardiovascular disease

Sergio Jansen-Chaparro, Jose Mancera, Jose I. Cuende, Aurora Villalobos, Antonio J. Baca, M. Dolores Lopez-Carmona, M. Rosa Bernal-Lopez, Francisco J. Tinahones, Ricardo Gomez-Huelgas

Journal:

European Journal of Internal Medicine

Year:

2012

Language:

english

File:

PDF, 385 KB

english, 2012

47

The Effects of Cryosolvents on DOPC−β-Sitosterol Bilayers Determined from Molecular Dynamics Simulations

Hughes, Zak E., Malajczuk, Chris J., Mancera, Ricardo L.

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 669 KB

english, 2013

48

Acclimation-induced changes in cell membrane composition and influence on cryotolerance of in vitro shoots of native plant species

Funnekotter, Bryn, Kaczmarczyk, Anja, Turner, Shane R., Bunn, Eric, Zhou, Wenxu, Smith, Steven, Flematti, Gavin, Mancera, Ricardo L.

Journal:

Plant Cell, Tissue and Organ Culture

Year:

2013

Language:

english

File:

PDF, 444 KB

english, 2013

49

A New Method for Estimating the Importance of Hydrophobic Groups in the Binding Site of a Protein

Kelly, Matthew D., Mancera, Ricardo L.

Journal:

Journal of Medicinal Chemistry

Year:

2005

Language:

english

File:

PDF, 462 KB

english, 2005

50

Molecular dynamics simulation of dilute aqueous DMSO solutions. A temperature-dependence study of the hydrophobic and hydrophilic behaviour around DMSO

Mancera, Ricardo L., Chalaris, Michalis, Refson, Keith, Samios, Jannis

Journal:

Physical Chemistry Chemical Physics

Year:

2004

Language:

english

File:

PDF, 364 KB

english, 2004

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