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Journal of Computer-Aided Molecular Design
|
October 5, 2016
On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge
Nupur Bansal, Zheng Zheng, David S Cerutti, et al.
Journal of Chemical Information and Modeling
|
April 28, 2015
Letter from the editors
Kenneth M Merz, Matthias Rarey, Alexander Tropsha, et al.
Journal of Medicinal Chemistry
|
February 4, 2005
Molecular dynamics simulations of the TEM-1 beta-lactamase complexed with cephalothin
Natalia Díaz, Dimas Suárez, Kenneth M Merz, et al.
Journal of Chemical Theory and Computation
|
November 13, 2008
Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties
Kevin E Riley, Bryan T Op't Holt, Kenneth M Merz
Journal of the American Chemical Society
|
August 2, 2001
A theoretical study of the aminolysis reaction of lysine 199 of human serum albumin with benzylpenicillin: consequences for immunochemistry of penicillins
N Díaz, D Suárez, T L Sordo, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Free Energy-Based Conformational Search Algorithm Using the Movable Type Sampling Method
Li-Li Pan, Zheng Zheng, Ting Wang, et al.
Journal of Chemical Theory and Computation
|
October 23, 2023
Geometry Optimization: A Comparison of Different Open-Source Geometry Optimizers
Akhil Shajan, Madushanka Manathunga, Andreas W Götz, et al.
Journal of the American Chemical Society
|
January 16, 2003
Insights into the acylation mechanism of class A beta-lactamases from molecular dynamics simulations of the TEM-1 enzyme complexed with benzylpenicillin
Natalia Díaz, Tomás L Sordo, Kenneth M Merz, et al.
Der Anaesthesist
|
January 1, 1996
[Serum fluoride concentrations and exocrine kidney function with sevoflurane and enflurane. An open, randomized, comparative phase III study of patients with healthy kidneys]
G Wiesner, K Wild, S Schwürzer, et al.
Contraception
|
December 3, 2014
A comparison of bleeding patterns and cycle control using two transdermal contraceptive systems: a multicenter, open-label, randomized study
D Gruber, A Skřivánek, M Serrani, et al.
Page
of 58
Search research articles
Search
Showing results (211-220 of 573) with videos related to
Sort By:
Page
of 58
Journal of Computer-Aided Molecular Design
|
October 5, 2016
On the fly estimation of host-guest binding free energies using the movable type method: participation in the SAMPL5 blind challenge
Nupur Bansal, Zheng Zheng, David S Cerutti, et al.
Journal of Chemical Information and Modeling
|
April 28, 2015
Letter from the editors
Kenneth M Merz, Matthias Rarey, Alexander Tropsha, et al.
Journal of Medicinal Chemistry
|
February 4, 2005
Molecular dynamics simulations of the TEM-1 beta-lactamase complexed with cephalothin
Natalia Díaz, Dimas Suárez, Kenneth M Merz, et al.
Journal of Chemical Theory and Computation
|
November 13, 2008
Critical Assessment of the Performance of Density Functional Methods for Several Atomic and Molecular Properties
Kevin E Riley, Bryan T Op't Holt, Kenneth M Merz
Journal of the American Chemical Society
|
August 2, 2001
A theoretical study of the aminolysis reaction of lysine 199 of human serum albumin with benzylpenicillin: consequences for immunochemistry of penicillins
N Díaz, D Suárez, T L Sordo, et al.
Journal of Chemical Theory and Computation
|
November 26, 2015
Free Energy-Based Conformational Search Algorithm Using the Movable Type Sampling Method
Li-Li Pan, Zheng Zheng, Ting Wang, et al.
Journal of Chemical Theory and Computation
|
October 23, 2023
Geometry Optimization: A Comparison of Different Open-Source Geometry Optimizers
Akhil Shajan, Madushanka Manathunga, Andreas W Götz, et al.
Journal of the American Chemical Society
|
January 16, 2003
Insights into the acylation mechanism of class A beta-lactamases from molecular dynamics simulations of the TEM-1 enzyme complexed with benzylpenicillin
Natalia Díaz, Tomás L Sordo, Kenneth M Merz, et al.
Der Anaesthesist
|
January 1, 1996
[Serum fluoride concentrations and exocrine kidney function with sevoflurane and enflurane. An open, randomized, comparative phase III study of patients with healthy kidneys]
G Wiesner, K Wild, S Schwürzer, et al.
Contraception
|
December 3, 2014
A comparison of bleeding patterns and cycle control using two transdermal contraceptive systems: a multicenter, open-label, randomized study
D Gruber, A Skřivánek, M Serrani, et al.
Page
of 58