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- Currently displaying 301 - 320 of 709 publications
Chemistry. Pinning down the water hexamer.
Science (New York, N.Y.)
(2012)
336
814
(doi: 10.1126/science.1222007)
Evolution of the Potential Energy Landscape with Static Pulling Force for Two Model Proteins
The Journal of Physical Chemistry B
(2012)
116
8394
(doi: 10.1021/jp211806z)
The Effect of Nonnative Interactions on the Energy Landscapes of Frustrated Model Proteins
Journal of Atomic and Molecular Physics
(2012)
2012
1
(doi: 10.1155/2012/192613)
Conformational dynamics of capping protein and interaction partners: Simulation studies (vol 80, pg 1066, 2012)
Proteins: Structure, Function, and Bioinformatics
(2012)
80
1500
(doi: 10.1002/prot.24064)
Enzyme catalysis from linear-scaling DFT: Application to chorismate mutase
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2012)
243
The energy landscape as a computational tool
Latest Advances in Atomic Cluster Collisions: Structure and Dynamics from the Nuclear to the Biological Scale
(2012)
321-330
(doi: 10.1142/9781848162389_0025)
Exploring the energy landscape
International Journal of Modern Physics B
(2012)
19
2877
(doi: 10.1142/S0217979205031857)
Conformational dynamics of capping protein and interaction partners: simulation studies.
Proteins: Structure, Function, and Bioinformatics
(2012)
80
1066
(doi: 10.1002/prot.24008)
Energy landscapes of ion clusters in isotropic quadrupolar and octupolar traps.
J Chem Phys
(2012)
136
024303
(doi: 10.1063/1.3673318)
Characterizing molecular motion in H2O and H3O + with dynamical instability statistics
The Journal of chemical physics
(2011)
135
184307
(doi: 10.1063/1.3658642)
A survey of the potential energy surface for the (benzene) 13 cluster
Phys Chem Chem Phys
(2011)
13
21362
(doi: 10.1039/c1cp22220a)
H2 Molecules Encapsulated in Extended Ben Cluster Cages: Toward Light-Metal Nanofoams for Hydrogen Storage
The Journal of Physical Chemistry A
(2011)
115
12105
(doi: 10.1021/jp206869g)
Mode-specific chemisorption of CH4 on Pt{110}-(1 × 2) explored by first-principles molecular dynamics
Journal of Physical Chemistry C
(2011)
115
21832
(doi: 10.1021/jp207746q)
Energy landscapes of colloidal clusters: Thermodynamics and rearrangement mechanisms
Nanoscale
(2011)
4
1085
(doi: 10.1039/c1nr10679a)
Instanton calculations of tunneling splittings for water dimer and trimer
The Journal of Chemical Physics
(2011)
135
124109
(doi: 10.1063/1.3640429)
Interplay between charge and vibrational delocalization in cationic helium clusters.
The Journal of chemical physics
(2011)
135
124308
(doi: 10.1063/1.3641895)
Physical properties of small water clusters in low and moderate electric fields
The Journal of chemical physics
(2011)
135
124303
(doi: 10.1063/1.3640804)
Energy Landscape and Global Optimization for a Frustrated Model Protein
Journal of Physical Chemistry B
(2011)
115
11525
(doi: 10.1021/jp207246m)
Dissociative Chemisorption of Hydrazine on an Fe{211} Surface
Journal of Physical Chemistry C
(2011)
115
17812
(doi: 10.1021/jp202155w)
Modelling proteins: Conformational sampling and reconstruction of folding kinetics
Biochimica et Biophysica Acta - Proteins and Proteomics
(2011)
1814
977
(doi: 10.1016/j.bbapap.2010.09.006)
