WARSHEL, ARIEH: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

1

Coarse-Grained (Multiscale) Simulations in Studies of Biophysical and Chemical Systems

Kamerlin, Shina C.L., Vicatos, Spyridon, Dryga, Anatoly, Warshel, Arieh

Journal:

Annual Review of Physical Chemistry

Year:

2011

Language:

english

File:

PDF, 977 KB

english, 2011

2

Why nature really chose phosphate

Kamerlin, Shina C. L., Sharma, Pankaz K., Prasad, Ram B., Warshel, Arieh

Journal:

Quarterly Reviews of Biophysics

Year:

2013

Language:

english

File:

PDF, 3.76 MB

english, 2013

3

The Physics and Physical Chemistry of Molecular Machines

Astumian, R. Dean, Mukherjee, Shayantani, Warshel, Arieh

Journal:

Year:

2016

Language:

english

File:

PDF, 4.22 MB

english, 2016

4

On the origin of the catalytic power of carboxypeptidase A and other metalloenzymes

Alexandra Vardi Kilshtain, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2009

Language:

english

File:

PDF, 323 KB

english, 2009

5

Multiscale Modeling of Biological Functions: From Enzymes to Molecular Machines (Nobel Lecture)

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 2.73 MB

english, 2014

6

Methyltransferases do not work by compression, cratic, or desolvation effects, but by electrostatic preorganization

Lameira, Jeronimo, Bora, Ram Prasad, Chu, Zhen T., Warshel, Arieh

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2015

Language:

english

File:

PDF, 495 KB

english, 2015

7

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

Aaqvist, Johan., Warshel, Arieh.

Journal:

Chemical Reviews

Year:

1993

Language:

english

File:

PDF, 4.38 MB

english, 1993

8

Computer simulation of protein folding

Levitt, Michael, Warshel, Arieh

Journal:

Year:

1975

File:

PDF, 542 KB

1975

9

Electrostatic Basis for Enzyme Catalysis

Warshel, Arieh, Sharma, Pankaz K., Kato, Mitsunori, Xiang, Yun, Liu, Hanbin, Olsson, Mats H. M.

Journal:

Chemical Reviews

Year:

2006

Language:

english

File:

PDF, 847 KB

english, 2006

10

Critical Differences Between the Binding Features of the Spike Proteins of SARS-CoV-2 and SARS-CoV

Bai, Chen, Warshel, Arieh

Journal:

Journal of Physical Chemistry B

Year:

2020

File:

PDF, 1.30 MB

2020

11

Examining methods for calculations of binding free energies: LRA, LIE, PDLD-LRA, and PDLD/S-LRA calculations of ligands binding to an HIV protease

Yuk Yin Sham, Zhen Tao Chu, Holly Tao, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2000

Language:

english

File:

PDF, 202 KB

english, 2000

12

What are the dielectric “constants” of proteins and how to validate electrostatic models?

Claudia N. Schutz, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2001

Language:

english

File:

PDF, 393 KB

english, 2001

13

Frozen density functional approach for ab initio calculations of solvated molecules

Wesolowski, Tomasz Adam, Warshel, Arieh

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 445 KB

english, 1993

14

Computer Simulations of Enzyme Catalysis: Methods, Progress, and Insights

Journal:

Annual Review of Biophysics and Biomolecular Structure

Year:

2003

Language:

english

File:

PDF, 231 KB

english, 2003

15

Paradynamics: An Effective and Reliable Model for Ab Initio QM/MM Free-Energy Calculations and Related Tasks

Plotnikov, Nikolay V., Kamerlin, Shina C. L., Warshel, Arieh

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.21 MB

english, 2011

16

Quantum Catalysis in Enzymes: Beyond the Transition State Theory || Transition State Theory Can Be Used in Studies of Enzyme Catalysis: Lessons from Simulations of Tunnelling and Dynamical Effects in Lipoxygenase and Other Systems

Mats H. M. Olsson, Janez Mavri and Arieh Warshel

Journal:

Philosophical Transactions Biological Sciences

Year:

2006

Language:

english

File:

PDF, 3.69 MB

english, 2006

17

Consistent Force Field Calculations. II. Crystal Structures, Sublimation Energies, Molecular and Lattice Vibrations, Molecular Conformations, and Enthalpies of Alkanes

Journal:

The Journal of Chemical Physics

Year:

1970

Language:

english

File:

PDF, 1.14 MB

english, 1970

18

Dynamics of biochemical and biophysical reactions: insight from computer simulations

Warshel, Arieh, W. Parson, William

Journal:

Quarterly Reviews of Biophysics

Year:

2001

Language:

english

File:

PDF, 3.71 MB

english, 2001

19

Torque, chemistry and efficiency in molecular motors: a study of the rotary–chemical coupling in F1-ATPase

Mukherjee, Shayantani, Bora, Ram Prasad, Warshel, Arieh

Journal:

Quarterly Reviews of Biophysics

Year:

2015

Language:

english

File:

PDF, 597 KB

english, 2015

20

The barrier for proton transport in aquaporins as a challenge for electrostatic models: The role of protein relaxation in mutational calculations

Mitsunori Kato, Andrei V. Pisliakov, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2006

Language:

english

File:

PDF, 648 KB

english, 2006

21

At the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?

Shina C. L. Kamerlin, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 1.24 MB

english, 2010

22

Validating the vitality strategy for fighting drug resistance

Nidhi Singh, Maria P. Frushicheva, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2012

Language:

english

File:

PDF, 1.29 MB

english, 2012

23

Exploring the origin of the ion selectivity of the KcsA potassium channel

Anton Burykin, Mitsunori Kato, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2003

Language:

english

File:

PDF, 1.01 MB

english, 2003

24

The empirical valence bond model: theory and applications

Shina C. L. Kamerlin, Arieh Warshel

Journal:

Wiley Interdisciplinary Reviews: Computational Molecular Science

Year:

2011

Language:

english

File:

PDF, 229 KB

english, 2011

25

A comprehensive examination of the contributions to the binding entropy of protein–ligand complexes

Nidhi Singh, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 413 KB

english, 2010

26

The empirical valence bond as an effective strategy for computer-aided enzyme design

Alexandra Vardi-Kilshtain, Maite Roca, Arieh Warshel

Journal:

Biotechnology Journal

Year:

2009

Language:

english

File:

PDF, 199 KB

english, 2009

27

Computer Simulations of Enzyme Catalysis: Finding out what has been Optimized by Evolution

Arieh Warshel and Jan Florian

Journal:

Proceedings of the National Academy of Sciences

Year:

1998

Language:

english

File:

PDF, 1.13 MB

english, 1998

28

Validating computer simulations of enantioselective catalysis; reproducing the large steric and entropic contributions in Candida Antarctica lipase B

Schopf, Patrick, Warshel, Arieh

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2014

Language:

english

File:

PDF, 490 KB

english, 2014

29

An effective Coarse-grained model for biological simulations: Recent refinements and validations

Vicatos, Spyridon, Rychkova, Anna, Mukherjee, Shayantani, Warshel, Arieh

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2014

Language:

english

File:

PDF, 999 KB

english, 2014

30

On the Reactivity of Phosphate Monoester Dianions in Aqueous Solution: Brønsted Linear Free-Energy Relationships Do Not Have an Unique Mechanistic Interpretation

Florián, Jan, Åqvist, Johan, Warshel, Arieh

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 44 KB

english, 1998

31

Calculations of enzymic reactions: calculations of pKa, proton transfer reactions, and general acid catalysis reactions in enzymes

Journal:

Year:

1981

Language:

english

File:

PDF, 2.02 MB

english, 1981

32

Toward Accurate Screening in Computer-Aided Enzyme Design †

Roca, Maite, Vardi-Kilshtain, Alexandra, Warshel, Arieh

Journal:

Year:

2009

Language:

english

File:

PDF, 2.20 MB

english, 2009

33

On the mechanism of guanosine triphosphate hydrolysis in ras p21 proteins

Langen, Ralf, Schweins, Thomas, Warshel, Arieh

Journal:

Year:

1992

Language:

english

File:

PDF, 2.33 MB

english, 1992

34

Dissecting the role of the γ-subunit in the rotary–chemical coupling and torque generation of F 1 -ATPase

Mukherjee, Shayantani, Warshel, Arieh

Journal:

Proceedings of the National Academy of Sciences

Year:

2015

Language:

english

File:

PDF, 1.62 MB

english, 2015

35

Exploring the mechanism of DNA polymerases by analyzing the effect of mutations of active site acidic groups in Polymerase β

Matute, Ricardo A., Yoon, Hanwool, Warshel, Arieh

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2016

Language:

english

File:

PDF, 1.61 MB

english, 2016

36

Exploring the catalytic mechanism of Cas9 using information inferred from Endonuclease VII

Yoon, Hanwool, Zhao, Li Na, Warshel, Arieh

Journal:

Year:

2018

Language:

english

File:

PDF, 1010 KB

english, 2018

37

Predicting Drug-Resistant Mutations of HIV Protease

Hiroshi Ishikita, Arieh Warshel

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 551 KB

english, 2008

38

Associative Versus Dissociative Mechanisms of Phosphate Monoester Hydrolysis: On the Interpretation of Activation Entropies

Shina C. L. Kamerlin, Jan Florián, Arieh Warshel

Journal:

Year:

2008

Language:

english

File:

PDF, 335 KB

english, 2008

39

Multiscale simulations of protein landscapes: Using coarse-grained models as reference potentials to full explicit models

Benjamin M. Messer, Maite Roca, Zhen T. Chu, Spyridon Vicatos, Alexandra Vardi Kilshtain, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2010

Language:

english

File:

PDF, 797 KB

english, 2010

40

Computer simulations of proton transfer in cytochrome c oxidase and nitric oxide reductase

Andrei Pisliakov, Yuji Sugita, Arieh Warshel

Journal:

Biochimica et Biophysica Acta (BBA) - Bioenergetics

Year:

2010

Language:

english

File:

PDF, 80 KB

english, 2010

41

Electrostatic Basis of the Unidirectional Walking Motion in Myosin Molecular Motors

Mukherjee, Shayantani, Warshel, Arieh

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 61 KB

english, 2014

42

Origin of Linear Free Energy Relationships: Exploring the Nature of the Off-Diagonal Coupling Elements in S N 2 Reactions

Rosta, Edina, Warshel, Arieh

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 1.60 MB

english, 2012

43

Energetics of heme-protein interactions in hemoglobin

Warshel, Arieh, Weiss, Robert M.

Journal:

Journal of the American Chemical Society

Year:

1981

Language:

english

File:

PDF, 754 KB

english, 1981

44

A Fundamental Assumption about OH - Attack in Phosphate Ester Hydrolysis Is Not Fully Justified

Florián, Jan, Warshel, Arieh

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 86 KB

english, 1997

45

Brønsted slopes based on single-molecule imaging data help to unveil the chemically coupled rotation in F 1 -ATPase

Mukherjee, Shayantani, Warshel, Arieh

Journal:

Proceedings of the National Academy of Sciences

Year:

2015

Language:

english

File:

PDF, 744 KB

english, 2015

46

Enhancing Paradynamics for QM/MM Sampling of Enzymatic Reactions

Lameira, Jerônimo, Kupchencko, Ilya, Warshel, Arieh

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 1.90 MB

english, 2016

47

On the Origin of Non-Arrhenius Behavior of the Rates of Enzymatic Reactions

Roy, Subhendu, Schopf, Patrick, Warshel, Arieh

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 781 KB

english, 2017

48

Validating the Water Flooding Approach by Comparing It to Grand Canonical Monte Carlo Simulations

Yoon, Hanwool, Kolev, Vesselin, Warshel, Arieh

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 2.21 MB

english, 2017

49

ZnT2 is an electroneutral proton-coupled vesicular antiporter displaying an apparent stoichiometry of two protons per zinc ion

Golan, Yarden, Alhadeff, Raphael, Warshel, Arieh, Assaraf, Yehuda G., MacKerell, Alexander

Journal:

PLoS Computational Biology

Year:

2019

Language:

english

File:

PDF, 2.74 MB

english, 2019

50

Electrostatic contributions to protein–protein binding affinities: Application to Rap/Raf interaction

Ingo Muegge, Thomas Schweins, Arieh Warshel

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1998

Language:

english

File:

PDF, 271 KB

english, 1998

To build up a library is to create a life. It’s never just a random collection of books.

— Carlos María Domínguez

Official channel

Z-Library Desktop Launcher

Z-Library Since 2009 support@1delivery.pm

EnglishРусскийEspañolItalianoελληνικάاللغة العربيةBahasa IndonesiaBahasa Malaysiaहिन्दीDeutschFrançaisPortuguêsУкраїнськаPolski中文繁體中文日本語Tiếng ViệtAzərbaycan DiliՀայոց լեզուภาษาไทยTürk Diliქართველიবাংলাپښتوతెలుగుاردو한국어SrpskiБългарски