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1

Is Water the Universal Solvent for Life?

A. Pohorille, L. R. Pratt

Journal:

Origins of Life and Evolution of Biospheres

Year:

2012

Language:

english

File:

PDF, 174 KB

english, 2012

2

Good Practices in Free-Energy Calculations

Pohorille, Andrew, Jarzynski, Christopher, Chipot, Christophe

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 4.73 MB

english, 2010

3

The Adaptive Biasing Force Method: Everything You Always Wanted To Know but Were Afraid To Ask

Comer, Jeffrey, Gumbart, James C., Hénin, Jérôme, Lelièvre, Tony, Pohorille, Andrew, Chipot, Christophe

Journal:

Journal of Physical Chemistry B

Year:

2015

Language:

english

File:

PDF, 3.10 MB

english, 2015

4

Minimum Alveolar Anesthetic Concentration of Fluorinated Alkanols in Rats

Eger, Edmond I, Ionescu, Pompiliu, Laster, Michael J., Gong, Diane, Hudlicky, Tomas, Kendig, Joan J., Harris, R. Adron, Trudell, James R., Pohorille, Andrew

Journal:

Anesthesia & Analgesia

Year:

1999

Language:

english

File:

PDF, 177 KB

english, 1999

5

A semiempirical study of the optimized ground and excited state potential energy surfaces of retinal and its protonated Schiff base

Andreas B.J. Parusel, Andrew Pohorille

Journal:

Journal of Photochemistry and Photobiology B: Biology

Year:

2001

Language:

english

File:

PDF, 360 KB

english, 2001

6

[Springer Series in CHEMICAL PHYSICS] Free Energy Calculations Volume 86 || Understanding and Improving Free Energy Calculations in Molecular Simulations: Error Analysis and Reduction Methods

Chipot, Christophe, Pohorille, Andrew

Year:

2007

Language:

english

File:

PDF, 1.12 MB

english, 2007

7

The NASA Astrobiology Roadmap

Des Marais, David J., Nuth, Joseph A., Allamandola, Louis J., Boss, Alan P., Farmer, Jack D., Hoehler, Tori M., Jakosky, Bruce M., Meadows, Victoria S., Pohorille, Andrew, Runnegar, Bruce, Spormann, A

Journal:

Year:

2008

Language:

english

File:

PDF, 658 KB

english, 2008

8

Adaptive biasing force method for scalar and vector free energy calculations

Darve, Eric, Rodríguez-Gómez, David, Pohorille, Andrew

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 1.83 MB

english, 2008

9

Molecular dynamics of a water-lipid bilayer interface

Wilson, Michael A., Pohorille, Andrew

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 1.98 MB

english, 1994

10

The Origin and Early Evolution of Membrane Channels

Pohorille, Andrew, Schweighofer, Karl, Wilson, Michael A.

Journal:

Year:

2005

Language:

english

File:

PDF, 172 KB

english, 2005

11

M2 Proton Channel: Toward a Model of a Primitive Proton Pump

Wei, Chenyu, Pohorille, Andrew

Journal:

Origins of Life and Evolution of Biospheres

Year:

2015

Language:

english

File:

PDF, 342 KB

english, 2015

12

[Methods in Enzymology] Biomembranes Part O: Protons and Water: Structure and Translocation Volume 127 || [4] Theoretical methods for obtaining free energies of biomolecular equilibria in aqueous solutions

Pohorille, Andrew

Year:

1986

Language:

english

File:

PDF, 827 KB

english, 1986

13

Flexible Proteins at the Origin of Life

Pohorille, Andrew, Wilson, Michael A., Shannon, Gareth

Journal:

Year:

2017

Language:

english

File:

PDF, 2.95 MB

english, 2017

14

Evaluating Biosignatures for Life Detection

Pohorille, Andrew, Sokolowska, Joanna

Journal:

Year:

2020

File:

PDF, 382 KB

2020

15

Regional and subcellular distribution of a neutral and basic amino acid transporter in forebrain neurons containing nitric oxide synthase

Pickel, V.M., Pohorille, A., Chan, J., Tate, S.S., Nirenberg, M.J.

Journal:

The Journal of Comparative Neurology

Year:

1999

Language:

english

File:

PDF, 1.50 MB

english, 1999

16

Early events in the folding of an amphipathic peptide: A multinanosecond molecular dynamics study

Christophe Chipot, Bernard Maigret, Andrew Pohorille

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1999

Language:

english

File:

PDF, 380 KB

english, 1999

17

Scattering of water from the glycerol liquid-vacuum interface

Ilan Benjamin, Michael A. Wilson, Andrew Pohorille, Gilbert M. Nathanson

Journal:

Chemical Physics Letters

Year:

1995

Language:

english

File:

PDF, 527 KB

english, 1995

18

Interaction of a sodium ion with the water liquid-vapor interface

Michael A. Wilson, Andrew Pohorille, Lawrence R. Pratt

Journal:

Chemical Physics

Year:

1989

Language:

english

File:

PDF, 360 KB

english, 1989

19

Base-pairing properties of O-methylated bases of nucleic acids energetic and steric considerations

Andrew Pohorille, Gilda H. Loew

Journal:

Biophysical Chemistry

Year:

1985

Language:

english

File:

PDF, 1.24 MB

english, 1985

20

From organic molecules in space to the origins of life and back

Journal:

Advances in Space Research

Year:

2002

Language:

english

File:

PDF, 1.16 MB

english, 2002

21

An inherited efficiencies model of non-genomic evolution

Michael H. New, Andrew Pohorille

Journal:

Simulation Practice and Theory

Year:

2000

Language:

english

File:

PDF, 161 KB

english, 2000

22

Atomic dipole approximation and energies of interactions between purine and pyrimidine bases. I. Electrostatic interactions of adenine with uracil, thymine, thiouracils, dihydrouracil, and 5-fluorouracil

M. Geller, A. Jaworski, A. Pohorille

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 463 KB

english, 1979

23

Tautomerism of pyrimidine bases—uracil, cytosine, isocytosine: Theoretical study with complete optimization of geometry

R. Czermiński, B. Lesyng, A. Pohorille

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 462 KB

english, 1979

24

Tautomerism of oxopyridines and oxopyrimidines: Theoretical study with complete optimization of geometry

R. Czermiński, B. Lesyng, A. Pohorille

Journal:

International Journal of Quantum Chemistry

Year:

1979

Language:

english

File:

PDF, 440 KB

english, 1979

25

Energy of planar autoassociation of xanthine and spatial structure of poly(riboxanthylic acid)

M. Geller, B. Lesyng, A. Pohorille

Journal:

International Journal of Quantum Chemistry

Year:

1980

Language:

english

File:

PDF, 328 KB

english, 1980

26

Protein backbone interaction with nucleic acid base pairs: A theoretical investigation

Ramakrishna V. Hosur, A. Pohorille

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 371 KB

english, 1981

27

Interaction of the mutagenic base analogs O6-methylguanine and N4-hydroxycytosine with potentially complementary bases

Anna Psoda, B. Kierdaszuk, A. Pohorille, M. Geller, J. T. Kusmierek, D. Shugar

Journal:

International Journal of Quantum Chemistry

Year:

1981

Language:

english

File:

PDF, 594 KB

english, 1981

28

Probing the structure of cometary ice

Michael A. Wilson, Rew Pohorille, Peter Jenniskens, David F. Blake1

Journal:

Origins of Life and Evolution of Biospheres

Year:

1995

Language:

english

File:

PDF, 1.08 MB

english, 1995

29

Molecular dynamics studies of simple membrane — Water interfaces: Structure and functions in the beginnings of cellular life

Andrew Pohorille, Michael A. Wilson

Journal:

Origins of Life and Evolution of Biospheres

Year:

1995

Language:

english

File:

PDF, 2.23 MB

english, 1995

30

Ion transport mechanisms and prebiotic membranes

R. D. MacElroy, H. Morowitz, A. Pohorille

Journal:

Origins of Life and Evolution of Biospheres

Year:

1989

Language:

english

File:

PDF, 106 KB

english, 1989

31

Effect of environment on organization and recognition in prebiotic systems

Andrew Pohorille, Brian Owenson, Robert D. MacElroy

Journal:

Origins of Life and Evolution of Biospheres

Year:

1986

Language:

english

File:

PDF, 89 KB

english, 1986

32

Structure and functions of simple peptides at membrane-water interfaces

Christophe Chipot, Andrew Pohorille

Journal:

Origins of Life and Evolution of Biospheres

Year:

1996

Language:

english

File:

PDF, 99 KB

english, 1996

33

Computer modeling of the thermal conductivity of cometary ice

Michael A. Wilson, Andrew Pohorille

Journal:

Origins of Life and Evolution of Biospheres

Year:

1996

Language:

english

File:

PDF, 68 KB

english, 1996

34

Development of the economic science in Poland

M. Pohorille, J. Zawadzki

Journal:

Economic Change and Restructuring

Year:

1963

Language:

english

File:

PDF, 152 KB

english, 1963

35

Interactions of anesthetics with the membrane-water interface

Andrew Pohorille, Piotr Cieplak, Michael A. Wilson

Journal:

Chemical Physics

Year:

1996

Language:

english

File:

PDF, 846 KB

english, 1996

36

Mechanism of Unassisted Ion Transport across Membrane Bilayers

Wilson, Michael A., Pohorille, Andrew

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 352 KB

english, 1996

37

Conformational Equilibria of Terminally Blocked Single Amino Acids at the Water−Hexane Interface. A Molecular Dynamics Study

Chipot, Christophe, Pohorille, Andrew

Journal:

Journal of Physical Chemistry B

Year:

1998

Language:

english

File:

PDF, 406 KB

english, 1998

38

[Springer Series in CHEMICAL PHYSICS] Free Energy Calculations Volume 86 || Applications of Free Energy Calculations to Chemistry and Biology

Chipot, Christophe, Pohorille, Andrew

Year:

2007

Language:

english

File:

PDF, 606 KB

english, 2007

39

[Springer Series in CHEMICAL PHYSICS] Free Energy Calculations Volume 86 || Introduction

Chipot, Christophe, Pohorille, Andrew

Year:

2007

Language:

english

File:

PDF, 562 KB

english, 2007

40

Viewpoint 9 — Molecular structure of aqueous interfaces

Andrew Pohorille, Michael A. Wilson

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1993

Language:

english

File:

PDF, 2.93 MB

english, 1993

41

Constructing explanatory process models from biological data and knowledge

Pat Langley, Oren Shiran, Jeff Shrager, Ljupčo Todorovski, Andrew Pohorille

Journal:

Artificial Intelligence in Medicine

Year:

2006

Language:

english

File:

PDF, 344 KB

english, 2006

42

Models of risk and choice: challenge or danger

Joanna Sokolowska, Andrew Pohorille

Journal:

Acta Psychologica

Year:

2000

Language:

english

File:

PDF, 268 KB

english, 2000

43

Structure and dynamics of small peptides at aqueous interfaces a multi-nanosecond molecular dynamics study

Christophe Chipot, Andrew Pohorille

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1997

Language:

english

File:

PDF, 628 KB

english, 1997

44

Proton pumps: mechanism of action and applications

Janos K Lanyi, Andrew Pohorille

Journal:

Trends in Biotechnology

Year:

2001

Language:

english

File:

PDF, 117 KB

english, 2001

45

Artificial cells: prospects for biotechnology

Andrew Pohorille, David Deamer

Journal:

Trends in Biotechnology

Year:

2002

Language:

english

File:

PDF, 712 KB

english, 2002

46

Revising regulatory networks: from expression data to linear causal models

S.D Bay, J Shrager, A Pohorille, P Langley

Journal:

Journal of Biomedical Informatics

Year:

2002

Language:

english

File:

PDF, 215 KB

english, 2002

47

[Springer Series in CHEMICAL PHYSICS] Free Energy Calculations Volume 86 || Free Energy Calculations: Approximate Methods for Biological Macromolecules

Chipot, Christophe, Pohorille, Andrew

Year:

2007

Language:

english

File:

PDF, 785 KB

english, 2007

48

Electronic structure of thiouracils and their interaction with adenine.

M. Geller, A. Pohorille, A. Jaworski

Journal:

Biochimica et Biophysica Acta (BBA) - Nucleic Acids and Protein Synthesis

Year:

1973

Language:

english

File:

PDF, 370 KB

english, 1973

49

Molecular orbital studies on the conformations of 8-amino- and 8-dimethylaminoadenosine 5′-monophosphate

A. Pohorille, D. Perahia, B. Pullman

Journal:

Biochimica et Biophysica Acta (BBA) - Nucleic Acids and Protein Synthesis

Year:

1978

Language:

english

File:

PDF, 323 KB

english, 1978

50

Comparison of theoretical and experimental approaches to determination of conformation of nucleosides about the glycosidic bond

Ryszard Stolarski, Andrzej Pohorille, Lech Dudycz, David Shugar

Journal:

Biochimica et Biophysica Acta (BBA) - Nucleic Acids and Protein Synthesis

Year:

1980

Language:

english

File:

PDF, 1.09 MB

english, 1980