Application of semiempirical quantum chemical methods as a scoring function in docking

Author： Vasilyev V.  

Publisher： Springer Publishing Company

ISSN： 1432-881X

Source： Theoretical Chemistry Accounts, Vol.112, Iss.4, 2004-09, pp. : 313-317

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

A Fragment-Based Scoring Function to Re-rank ATP Docking Results

By Pyrkov Timothy V.   Efremov Roman G.  

International Journal of Molecular Sciences, Vol. 8, Iss. 11, 2007-10 ,pp. : 1083-1094

MDPI

Access to resources Recommend Favorite

AutoDock-GIST: Incorporating Thermodynamics of Active-Site Water into Scoring Function for Accurate Protein-Ligand Docking

By Uehara Shota   Tanaka Shigenori  

Molecules, Vol. 21, Iss. 11, 2016-11 ,pp. : 1604-1604

MDPI

Access to resources Recommend Favorite

Chemical Reactivity as Described by Quantum Chemical Methods

By Geerlings P.   De Proft F.  

International Journal of Molecular Sciences, Vol. 3, Iss. 4, 2002-04 ,pp. : 276-309

MDPI

Access to resources Recommend Favorite

Tautomerism and Acidic Properties of N-Unsubstituted Benzohydroxamic Acids: Semiempirical Quantum Chemical Estimation

By Surova T.V.   Enyashin A.N.  

Journal of Structural Chemistry, Vol. 44, Iss. 2, 2003-03 ,pp. : 297-300

Springer Publishing Company

Access to resources Recommend Favorite

Structure of Sulfated Monosaccharides Studied by Quantum Chemical Methods

By Scholtzová Eva   Mach Pavel   Hricovíni Miloš  

Molecules, Vol. 8, Iss. 11, 2003-11 ,pp. : 770-779

MDPI

Access to resources Recommend Favorite