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January 10, 2014
Validating computer simulations of enantioselective catalysis; reproducing the large steric and entropic contributions in Candida Antarctica lipase B
Patrick Schopf, Arieh Warshel
The Journal of Physical Chemistry. B
|
June 15, 2017
Origin of the Non-Arrhenius Behavior of the Rates of Enzymatic Reactions
Subhendu Roy, Patrick Schopf, Arieh Warshel
Proceedings of the National Academy of Sciences of the United States of America
|
March 26, 2015
The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigm
Patrick Schopf, Matthew J L Mills, Arieh Warshel
Current Opinion in Chemical Biology
|
May 13, 2014
Computer aided enzyme design and catalytic concepts
Maria P Frushicheva, Matthew J L Mills, Patrick Schopf, et al.
Journal of Computational Chemistry
|
July 5, 2022
Quantum computing in pharma: A multilayer embedding approach for near future applications
Róbert Izsák, Christoph Riplinger, Nick S Blunt, et al.
Journal of Chemical Theory and Computation
|
November 10, 2022
Perspective on the Current State-of-the-Art of Quantum Computing for Drug Discovery Applications
Nick S Blunt, Joan Camps, Ophelia Crawford, et al.
Journal of Medicinal Chemistry
|
April 9, 2026
From KRAS<sup><i>G12D</i></sup> to Pan-KRAS Inhibitors─A Journey Enabled by Synthetic Innovation and Structure-Based Drug Design
Xiaoshen Ma, David L Sloman, Timothy J Henderson, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Proteins
|
January 10, 2014
Validating computer simulations of enantioselective catalysis; reproducing the large steric and entropic contributions in Candida Antarctica lipase B
Patrick Schopf, Arieh Warshel
The Journal of Physical Chemistry. B
|
June 15, 2017
Origin of the Non-Arrhenius Behavior of the Rates of Enzymatic Reactions
Subhendu Roy, Patrick Schopf, Arieh Warshel
Proceedings of the National Academy of Sciences of the United States of America
|
March 26, 2015
The entropic contributions in vitamin B12 enzymes still reflect the electrostatic paradigm
Patrick Schopf, Matthew J L Mills, Arieh Warshel
Current Opinion in Chemical Biology
|
May 13, 2014
Computer aided enzyme design and catalytic concepts
Maria P Frushicheva, Matthew J L Mills, Patrick Schopf, et al.
Journal of Computational Chemistry
|
July 5, 2022
Quantum computing in pharma: A multilayer embedding approach for near future applications
Róbert Izsák, Christoph Riplinger, Nick S Blunt, et al.
Journal of Chemical Theory and Computation
|
November 10, 2022
Perspective on the Current State-of-the-Art of Quantum Computing for Drug Discovery Applications
Nick S Blunt, Joan Camps, Ophelia Crawford, et al.
Journal of Medicinal Chemistry
|
April 9, 2026
From KRAS<sup><i>G12D</i></sup> to Pan-KRAS Inhibitors─A Journey Enabled by Synthetic Innovation and Structure-Based Drug Design
Xiaoshen Ma, David L Sloman, Timothy J Henderson, et al.
Page
of 1