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Journal of Computer-Aided Molecular Design

Volumn 15, Issue 2, 2001, Pages 129-144

The configurational dependence of binding free energies: A Poisson-Boltzmann study of neuraminidase inhibitors

(3) Woods, C J a King, M A b Essex, J W a

a UNIVERSITY OF SOUTHAMPTON (United Kingdom)

b UCB PHARMA (Belgium)

Author keywords

Affinity; Conformation; Ensemble; Implicit solvent; Snapshot

Indexed keywords

BINDING ENERGY; BOLTZMANN EQUATION; ELECTROSTATICS; FREE ENERGY; HYDRATION; INTELLIGENT SYSTEMS; MONTE CARLO METHODS; POISSON DISTRIBUTION; POISSON EQUATION;

AFFINITY; BINDING FREE ENERGY; ELECTROSTATIC BINDING; ENSEMBLE; ENZYME-INHIBITOR COMPLEX; HYDRATION FREE ENERGIES; IMPLICIT SOLVENTS; POISSON-BOLTZMANN; POISSON-BOLTZMANN EQUATIONS; SNAPSHOT;

CONFORMATIONS;

SIALIDASE INHIBITOR;

ARTICLE; BINDING AFFINITY; CALCULATION; CHEMICAL STRUCTURE; COMPLEX FORMATION; COMPUTER SIMULATION; CONFORMATION; CONTROLLED STUDY; ELECTRICITY; ENERGY; HYDRATION; MOLECULAR DYNAMICS; PARAMETER; PRIORITY JOURNAL; SCORING SYSTEM; STATISTICAL ANALYSIS;

EID: 0035143024 PISSN: 0920654X EISSN: None Source Type: Journal
DOI: 10.1023/A:1008197913568 Document Type: Article

Times cited : (9)

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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.