Results 121 to 130 of about 382,119 (141)

CLOUDY 90: Numerical Simulation of Plasmas and Their Spectra

, 1998
G. Ferland, K. Korista, D. Verner, J. Ferguson, J. Kingdon, E. Verner   +5 more
semanticscholar   +1 more source

Heat‐Shock Protein 90 (Hsp90) as Anticancer Target for Drug Discovery: An Ample Computational Perspective

Chemical Biology and Drug Design, 2015
Hezekiel M. Kumalo, S. Bhakat, M. Soliman   +2 more
semanticscholar   +1 more source

Computational development of the nanoporous materials genome

Nature Reviews Materials, 2017
Yongjin Lee, Berend Smit
exaly  

Computational and Theoretical Methods to Explore the Relation between Enzyme Dynamics and Catalysis

Chemical Reviews, 2006
Dimitri Antoniou, Steven D Schwartz
exaly  

Charge Transport in Molecular Materials: An Assessment of Computational Methods

Chemical Reviews, 2017
Harald Oberhofer, Karsten Reuter, Jochen Blumberger   +2 more
exaly  

Determination of Relative Configuration in Organic Compounds by NMR Spectroscopy and Computational Methods

Chemical Reviews, 2007
Giuseppe Bifulco, Paolo Dambruoso, Raffaele Riccio   +2 more
exaly  

Structure prediction drives materials discovery

Nature Reviews Materials, 2019
Artem Oganov, Chris J Pickard, Qiang Zhu
exaly  

Computational Studies of Synthetically Relevant Homogeneous Organometallic Catalysis Involving Ni, Pd, Ir, and Rh: An Overview of Commonly Employed DFT Methods and Mechanistic Insights

Chemical Reviews, 2015
Theresa Sperger, Indrek Kalvet, Franziska Schoenebeck   +2 more
exaly  

The high-throughput highway to computational materials design

Nature Materials, 2013
Stefano Curtarolo, Gus L W Hart, Marco Buongiorno Nardelli   +2 more
exaly  

Emerging Computational Methods for the Rational Discovery of Allosteric Drugs

Chemical Reviews, 2016
Jeffrey R Wagner, Christopher T Lee, Jacob D Durrant   +2 more
exaly