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1

Catalytic Mechanism of Peptidoglycan Deacetylase: A Computational Study

Bhattacharjee, Nicholus, Feliks, Mikolaj, Shaik, Md Munan, Field, Martin J.

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 3.66 MB

english, 2017

2

Structure of hydration water in proteins: A comparison of molecular dynamics simulations and database analysis

Nicholus Bhattacharjee, Parbati Biswas

Journal:

Biophysical Chemistry

Year:

2011

Language:

english

File:

PDF, 591 KB

english, 2011

3

Position-specific propensities of amino acids in theβ-strand

Nicholus Bhattacharjee, Parbati Biswas

Journal:

BMC Structural Biology

Year:

2010

Language:

english

File:

PDF, 1.07 MB

english, 2010

4

Statistical analysis and molecular dynamics simulations of ambivalentα-helices

Nicholus Bhattacharjee, Parbati Biswas

Journal:

BMC Bioinformatics

Year:

2010

Language:

english

File:

PDF, 951 KB

english, 2010

5

Capturing molten globule state of α-lactalbumin through constant pH molecular dynamics simulations

Bhattacharjee, Nicholus, Rani, Pooja, Biswas, Parbati

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 1.48 MB

english, 2013

6

Local Order and Mobility of Water Molecules around Ambivalent Helices

Bhattacharjee, Nicholus, Biswas, Parbati

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 3.35 MB

english, 2011

7

Helical ambivalency induced by point mutations

Nicholus Bhattacharjee, Parbati Biswas

Journal:

BMC Structural Biology

Year:

2013

Language:

english

File:

PDF, 430 KB

english, 2013

8

Characterization of the divalent metal binding site of bacterial polysaccharide deacetylase using crystallography and quantum chemical calculations

Munan Shaik, Md, Bhattacharjee, Nicholus, Bhattacharjee, Anirban, Field, Martin J., Zanotti, Giuseppe

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2014

Language:

english

File:

PDF, 324 KB

english, 2014

9

Weak backbone CH…O=C and side chain tBu…tBu London interactions help promote helix folding of achiral NtBu peptoids

Angelici, Gaetano, Bhattacharjee, Nicholus, ROY, Olivier, FAURE, Sophie, Didierjean, Claude, JOUFFRET, Laurent, JOLIBOIS, Franck, Perrin, Lionel, TAILLEFUMIER, Claude

Journal:

Chemical Communications

Year:

2016

Language:

english

File:

PDF, 1.06 MB

english, 2016

10

Hybrid Potential Simulation of the Acylation of Enterococcus faecium l , d -Transpeptidase by Carbapenems

Bhattacharjee, Nicholus, Field, Martin J., Simorre, Jean-Pierre, Arthur, Michel, Bougault, Catherine M.

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 4.10 MB

english, 2016

11

Structural Patterns in α Helices and β Sheets in Globular Proteins

Bhattacharjee, Nicholus, Biswas, Parbati

Journal:

Protein & Peptide Letters

Year:

2009

Language:

english

File:

PDF, 565 KB

english, 2009

12

Norovirus RNA-dependent RNA polymerase: A computational study of metal-binding preferences

Munan Shaik, Md, Bhattacharjee, Nicholus, Feliks, Mikolaj, Ng, Kenneth K.-S., Field, Martin J.

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2017

Language:

english

File:

PDF, 3.30 MB

english, 2017

13

The role of Tat peptide self-aggregation in membrane pore stabilization: insights from a computational study

Akhunzada, Muhammad Jan, Chandramouli, Balasubramanian, Bhattacharjee, Nicholus, Macchi, Sara, Cardarelli, Francesco, Brancato, Giuseppe

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 2.48 MB

english, 2017

14

Exploring the Conformation of Mixed Cis – Trans α,β-Oligopeptoids: A Joint Experimental and Computational Study

Dumonteil, Geoffrey, Bhattacharjee, Nicholus, Angelici, Gaetano, Roy, Olivier, Faure, Sophie, Jouffret, Laurent, Jolibois, Franck, Perrin, Lionel, Taillefumier, Claude

Journal:

Journal of Organic Chemistry

Year:

2018

Language:

english

File:

PDF, 2.47 MB

english, 2018

15

Interplay between lipid lateral diffusion, dye concentration and membrane permeability unveiled by a combined spectroscopic and computational study of a model lipid bilayer

Jan Akhunzada, Muhammad, D’Autilia, Francesca, Chandramouli, Balasubramanian, Bhattacharjee, Nicholus, Catte, Andrea, Di Rienzo, Roberto, Cardarelli, Francesco, Brancato, Giuseppe

Journal:

Scientific Reports

Year:

2019

File:

PDF, 3.71 MB

2019

16

Relating circular dichroism to atomic structure by means of MD simulations and computed CD spectra: the example Î±-peptoids

Bhattacharjee, Nicholus, Perrin, Lionel, Jolibois, Franck

Journal:

Physical Chemistry Chemical Physics

Year:

2020

File:

PDF, 1.69 MB

2020

17

Enabling Racemization of Axially Chiral SubphthalocyanineâTetracyanobutadieneâAniline Enantiomers by Triplet State Photogeneration

Lavarda, Giulia, Bhattacharjee, Nicholus, Brancato, Giuseppe, Torres, Tomas, Bottari, Giovanni

Journal:

Angewandte Chemie International Edition

Year:

2020

File:

PDF, 2.86 MB

2020

18

Enabling Racemization of Axially Chiral SubphthalocyanineâTetracyanobutadieneâAniline Enantiomers by Triplet State Photogeneration

Lavarda, Giulia, Bhattacharjee, Nicholus, Brancato, Giuseppe, Torres, Tomas, Bottari, Giovanni

Journal:

Angewandte Chemie

Year:

2020

File:

PDF, 1.45 MB

2020