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Biochemistry
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February 17, 2009
Modulation of catalytic function by differential plasticity of the active site: case study of Trypanosoma cruzi trans-sialidase and Trypanosoma rangeli sialidase
Ozlem Demir, Adrian E Roitberg
Journal of Chemical Theory and Computation
|
June 2, 2010
Constant pH replica exchange molecular dynamics in biomolecules using a discrete protonation model
Yilin Meng, Adrian E Roitberg
The Journal of Physical Chemistry. B
|
January 16, 2008
Simulating temperature jumps for protein folding
Seonah Kim, Adrian E Roitberg
Journal of Chemical Theory and Computation
|
November 22, 2015
AM1 Specific Reaction Parameters for Reactions of Hydroxide Ion with Halomethanes in Complex Environments: Development and Testing
Shuai Liang, Adrian E Roitberg
The Journal of Physical Chemistry. B
|
December 1, 2020
pH-Dependent Conformational Changes Lead to a Highly Shifted p<i>K</i><sub>a</sub> for a Buried Glutamic Acid Mutant of SNase
Ankita Sarkar, Adrian E Roitberg
Journal of Chemical Information and Modeling
|
June 25, 2014
Fitting of dihedral terms in classical force fields as an analytic linear least-squares problem
Chad W Hopkins, Adrian E Roitberg
The Journal of Physical Chemistry. B
|
May 5, 2020
Retraction of "Rationalizing the pH-Activity Response of <i>Escherichia coli</i> Glycinamide Ribonucleotide Transformylase through Computational Methods"
Pancham Lal Gupta, Adrian E Roitberg
The Journal of Physical Chemistry. A
|
June 30, 2006
Theoretical study of the isomerization mechanism of azobenzene and disubstituted azobenzene derivatives
Christina R Crecca, Adrian E Roitberg
Journal of Molecular Graphics & Modelling
|
September 10, 2013
Design of e-pharmacophore models using compound fragments for the trans-sialidase of Trypanosoma cruzi: screening for novel inhibitor scaffolds
Bill R Miller, Adrian E Roitberg
Future Medicinal Chemistry
|
October 23, 2013
Trypanosoma cruzi trans-sialidase as a drug target against Chagas disease (American trypanosomiasis)
Bill R Miller, Adrian E Roitberg
Page
of 13
Search research articles
Search
Showing results (1-10 of 121) with videos related to
Sort By:
Page
of 13
Biochemistry
|
February 17, 2009
Modulation of catalytic function by differential plasticity of the active site: case study of Trypanosoma cruzi trans-sialidase and Trypanosoma rangeli sialidase
Ozlem Demir, Adrian E Roitberg
Journal of Chemical Theory and Computation
|
June 2, 2010
Constant pH replica exchange molecular dynamics in biomolecules using a discrete protonation model
Yilin Meng, Adrian E Roitberg
The Journal of Physical Chemistry. B
|
January 16, 2008
Simulating temperature jumps for protein folding
Seonah Kim, Adrian E Roitberg
Journal of Chemical Theory and Computation
|
November 22, 2015
AM1 Specific Reaction Parameters for Reactions of Hydroxide Ion with Halomethanes in Complex Environments: Development and Testing
Shuai Liang, Adrian E Roitberg
The Journal of Physical Chemistry. B
|
December 1, 2020
pH-Dependent Conformational Changes Lead to a Highly Shifted p<i>K</i><sub>a</sub> for a Buried Glutamic Acid Mutant of SNase
Ankita Sarkar, Adrian E Roitberg
Journal of Chemical Information and Modeling
|
June 25, 2014
Fitting of dihedral terms in classical force fields as an analytic linear least-squares problem
Chad W Hopkins, Adrian E Roitberg
The Journal of Physical Chemistry. B
|
May 5, 2020
Retraction of "Rationalizing the pH-Activity Response of <i>Escherichia coli</i> Glycinamide Ribonucleotide Transformylase through Computational Methods"
Pancham Lal Gupta, Adrian E Roitberg
The Journal of Physical Chemistry. A
|
June 30, 2006
Theoretical study of the isomerization mechanism of azobenzene and disubstituted azobenzene derivatives
Christina R Crecca, Adrian E Roitberg
Journal of Molecular Graphics & Modelling
|
September 10, 2013
Design of e-pharmacophore models using compound fragments for the trans-sialidase of Trypanosoma cruzi: screening for novel inhibitor scaffolds
Bill R Miller, Adrian E Roitberg
Future Medicinal Chemistry
|
October 23, 2013
Trypanosoma cruzi trans-sialidase as a drug target against Chagas disease (American trypanosomiasis)
Bill R Miller, Adrian E Roitberg
Page
of 13