Valere Lounnas: search on Z-Library

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1

CURRENT PROGRESS IN STRUCTURE-BASED RATIONAL DRUG DESIGN MARKS A NEW MINDSET IN DRUG DISCOVERY

Lounnas, Valère, Ritschel, Tina, Kelder, Jan, McGuire, Ross, Bywater, Robert P., Foloppe, Nicolas

Journal:

Computational and Structural Biotechnology Journal

Year:

2013

Language:

english

File:

PDF, 3.79 MB

english, 2013

2

Multicopy molecular dynamics simulations suggest how to reconcile crystallographic and product formation data for camphor enantiomers bound to cytochrome P-450cam

Bedamati Das, Volkhard Helms, Valère Lounnas, Rebecca C Wade

Journal:

Journal of Inorganic Biochemistry

Year:

2000

Language:

english

File:

PDF, 273 KB

english, 2000

3

Towards molecular dynamics simulation of large proteins with a hydration shell at constant pressure

Valère Lounnas, Susanna K. Lüdemann, Rebecca C. Wade

Journal:

Biophysical Chemistry

Year:

1999

Language:

english

File:

PDF, 1020 KB

english, 1999

4

A Connected-cluster of hydration around myoglobin: Correlation between molecular dynamics simulations and experiment

Valère Lounnas, Dr. B. Montgomery Pettitt

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1994

Language:

english

File:

PDF, 1.31 MB

english, 1994

5

Distribution function implied dynamics versus residence times and correlations: Solvation shells of myoglobin

Valère Lounnas, Dr. B. Montgomery Pettitt

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

1994

Language:

english

File:

PDF, 1.06 MB

english, 1994

6

pKa Calculations for class A β-lactamases: Influence of substrate binding

Josette Lamotte-Brasseur, Valère Lounnas, Xavier Raquet, Rebecca C. Wade

Journal:

Protein Science

Year:

1999

Language:

english

File:

PDF, 100 KB

english, 1999

7

Comparative kinetic analysis of FLP and cre recombinases: mathematical models for DNA binding and recombination

Leonie Ringrose, Valere Lounnas, Lutz Ehrlich, Frank Buchholz, Rebecca Wade, A.Francis Stewart

Journal:

Journal of Molecular Biology

Year:

1998

Language:

english

File:

PDF, 645 KB

english, 1998

8

How do substrates enter and products exit the buried active site of cytochrome P450cam? 1. Random expulsion molecular dynamics investigation of ligand access channels and mechanisms

Susanna K Lüdemann, Valère Lounnas, Rebecca C Wade

Journal:

Journal of Molecular Biology

Year:

2000

Language:

english

File:

PDF, 646 KB

english, 2000

9

How do substrates enter and products exit the buried active site of cytochrome P450cam? 2. Steered molecular dynamics and adiabatic mapping of substrate pathways

Susanna K. Lüdemann, Valère Lounnas, Rebecca C. Wade

Journal:

Journal of Molecular Biology

Year:

2000

Language:

english

File:

PDF, 526 KB

english, 2000

10

A microscopic view of protein solvation

Lounnas, Valere, Pettitt, B. Montgomery, Findsen, L., Subramaniam, S.

Journal:

Journal of Physical Chemistry

Year:

1992

Language:

english

File:

PDF, 415 KB

english, 1992

11

Electrostatic Steering and Ionic Tethering in Enzyme-Ligand Binding: Insights from Simulations

Rebecca C. Wade, Razif R. Gabdoulline, Susanna K. Ludemann and Valere Lounnas

Journal:

Proceedings of the National Academy of Sciences

Year:

1998

Language:

english

File:

PDF, 2.23 MB

english, 1998

12

Exceptionally Stable Salt Bridges in Cytochrome P450cam Have Functional Roles †

Lounnas, Valère, Wade, Rebecca C.

Journal:

Year:

1997

Language:

english

File:

PDF, 268 KB

english, 1997

13

Visually impaired researchers get their hands on quantum chemistry: application to a computational study on the isomerization of a sterol

Lounnas, Valère, Wedler, Henry B., Newman, Timothy, Schaftenaar, Gijs, Harrison, Jason G., Nepomuceno, Gabriella, Pemberton, Ryan, Tantillo, Dean J., Vriend, Gert

Journal:

Journal of Computer-Aided Molecular Design

Year:

2014

Language:

english

File:

PDF, 2.09 MB

english, 2014

14

Quantum chemical study of the isomerization of 24-methylenecycloartanol, a potential marker of olive oil refining

Wedler, Henry B., Pemberton, Ryan P., Lounnas, Valère, Vriend, Gert, Tantillo, Dean J., Wang, Selina C.

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 1.05 MB

english, 2015